Category: benzothiophene

An approach for the calculation of vaporization enthalpies of aromatic and heteroaromatic compounds at 298.15 K applicable to supercooled liquids was written by Solomonov, Boris N.;Yagofarov, Mikhail I.. And the article was included in Journal of Molecular Liquids in 2020.Safety of 2,5-Dimethylthiophene The following contents are mentioned in the article:

An approach for the calculation of the vaporization enthalpies of aromatic and heteroaromatic compounds at T = 298.15 K with accuracy competitive with experiment was proposed. The vaporization enthalpies may be calculated from the solution enthalpies of liquid and solvation enthalpies in benzene. The solution enthalpies of liquids were shown to be constant within a given type of aromatic compounds For a set of 67 liquid and 41 solid aromatic and heteroaromatic compounds not capable of intermol. hydrogen bonding, it was exptl. demonstrated that the solution enthalpies of liquids or supercooled liquids in benzene were equal to 1 ± 1 kJ·mol^-1. The way to consider intermol. hydrogen bonding, e.g., in phenol, aniline, pyrrole derivatives, was also proposed. The methods for solvation enthalpy calculation were proposed previously. The calculated and literature vaporization enthalpies values of 415 aromatic and heteroaromatic compounds were compared. Average absolute deviation amounted to 1.3 kJ·mol^-1. The proposed approach is especially valuable for calculation of the vaporization enthalpies of low-volatile compounds, including those solid at T = 298.15 K. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Safety of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.Safety of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Characterization of the Key Aroma Compounds in Two Differently Dried Toona sinensis (A. Juss.) Roem. by Means of the Molecular Sensory Science Concept was written by Zhai, Xiaoting;Granvogl, Michael. And the article was included in Journal of Agricultural and Food Chemistry in 2019.Reference of 638-02-8 The following contents are mentioned in the article:

A systematic approach for the characterization of the key aroma-active compounds in sun-dried Toona sinensis (SDTS) and vacuum-dried T. sinensis (VDTS) was performed by means of the mol. sensory science concept. A total of 64 aroma-active compounds were identified via gas chromatog.-olfactometry (GC-O) and gas chromatog.-mass spectrometry (GC-MS). Aroma extract dilution anal. (AEDA) and static headspace dilution anal. revealed 39 odorants in SDTS and 32 odorants in VDTS with flavor dilution (FD) factors from 8 to 4096, with the highest for vanillin and eugenol in both samples. Stable isotope dilution anal. (SIDA) and an internal standard method were applied to quantitate 42 odorants, revealing 35 compounds in concentrations above their resp. odor thresholds in SDTS and 29 compounds in VDTS, resp. Calculation of odor activity values (OAVs) indicated 2-isopropyl-3-methoxypyrazine, eugenol, and β-ionone with the highest OAVs in both samples. Recombination experiments of the overall aromas of SDTS and VDTS by mixing the odorants with OAVs ≥1 in their naturally occurring concentrations proved the successful identification and quantitation of the resp. key odorants. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Reference of 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Functionalized benzothiophenes are important constructs found in molecules with wide ranging biological activity and in organic materials. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization.Reference of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

New insight into the formation mechanism of 2-furfurylthiol in the glucose-cysteine reaction with ribose was written by Liu, Huan;Wang, Zhenyu;Hui, Teng;Fang, Fei;Zhang, Dequan. And the article was included in Food Research International in 2021.Reference of 638-02-8 The following contents are mentioned in the article:

The mol. formation mechanism of 2-furfurylthiol in the glucose-cysteine reaction is not reported. Knowledge of the mol. interaction of glucose and ribose on the generation of 2-furfurylthiol is still unclear. The carbon module labeling (CAMOLA) tech. approach was applied to elucidate the formation mechanism of 2-furfurylthiol in the glucose-cysteine reaction. The effect of ribose on the glucose-cysteine reaction was also evaluated. The results showed that 2-furfural and 2-furanmethanol were important intermediates for the formation of 2-furfurylthiol. Irresp. of the heating time, 2-furfurylthiol was mainly generated from an intact C5 glucose skeleton (88-89%), whereas the recombination of glucose fragments had minimal contribution. 2-Furfural could be generated from the Maillard reaction between glucose and cysteine or glucose alone, which further formed 2-furanmethanol. Immediately, 2-furfurylthiol could arise from the reaction of 2-furanmethanol and H2S from cysteine. Moreover, the reaction of glucose, ribose, and cysteine could generate 2-furfural, 2-furanmethanol, and 2-furfurylthiol by an addition effect confirmed by the model reaction and food system. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Reference of 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene scaffolds are of great importance due to its increased presence in bioactive molecules. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Reference of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Chemoselective Catalytic Dehydrogenative Cross-Coupling of 2-Acylimidazoles: Mechanistic Investigations and Synthetic Scope was written by Tanaka, Tsukushi;Hashiguchi, Kayoko;Tanaka, Takafumi;Yazaki, Ryo;Ohshima, Takashi. And the article was included in ACS Catalysis in 2018.Application In Synthesis of 2,5-Dimethylthiophene The following contents are mentioned in the article:

Chemoselective iron-catalyzed dehydrogenative cross-coupling using 2-acylimidazoles is described. The addition of a phosphine oxide ligand substantially facilitated the generation of tert-butoxy radicals from di-tert-Bu peroxide, allowing for efficient benzylic C-H bond cleavage under mild conditions. Extensive mechanistic studies revealed that the enolization of 2-acylimidazole proceeded through dual iron catalyst activation, followed by subsequent chemoselective cross-coupling with a benzyl radical over an undesired benzyl radical-derived homocoupling dimer that inevitably formed in earlier reported conditions. A variety of alkylarenes, aliphatic alkane, and functionalized 2-acylimidazoles were applicable, demonstrating the synthetic utility of the present catalysis. Contiguous all-carbon quaternary carbons were constructed through dehydrogenative cross-coupling. The catalytic chemoselective activation of 2-acylimidazole over bidentate coordinative and much more acidic malonate diester was particular noteworthy. Catalytic oxidative cross-enolate coupling of two distinct carboxylic acid equivalent was also achieved using acetonitrile as a coupling partner. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Application In Synthesis of 2,5-Dimethylthiophene).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene finds use in research as a starting material for the synthesis of larger, usually bioactive structures. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Application In Synthesis of 2,5-Dimethylthiophene

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors was written by Zhang, Xin;Zhou, Xilin;Kisliuk, Roy L.;Piraino, Jennifer;Cody, Vivian;Gangjee, Aleem. And the article was included in Bioorganic & Medicinal Chemistry in 2011.Formula: C12H17NO2S The following contents are mentioned in the article:

Classical antifolates (4-7) with a tricyclic benzo[4,5]thieno[2,3-d]pyrimidine scaffold and a flexible and rigid benzoylglutamate were synthesized as dual thymidylate synthase (TS) and dihydrofolate reductase (DHFR) inhibitors. Oxidative aromatization of Et 2-amino-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (±)-9 to Et 2-amino-4-methyl-1-benzothiophene-3-carboxylate 10 with 10% Pd/C was a key synthetic step. Compounds with 2-CH₃ substituents inhibited human (h) TS (IC₅₀ = 0.26-0.8 μM), but not hDHFR. Substitution of the 2-CH₃ with a 2-NH₂ increases hTS inhibition by more than 10-fold and also affords excellent hDHFR inhibition (IC₅₀ = 0.09-0.1 μM). This study shows that the tricyclic benzo[4,5]thieno[2,3-d]pyrimidine scaffold is highly conducive to single hTS or dual hTS-hDHFR inhibition depending on the 2-position substituents. The X-ray crystal structures of 6 and 7 (I) with hDHFR reveal, for the first time, that tricyclics 6 and 7 bind with the benzo[4,5]thieno[2,3-d]pyrimidine ring in the folate binding mode with the thieno S mimicking the 4-amino of methotrexate. This study involved multiple reactions and reactants, such as Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9Formula: C12H17NO2S).

Ethyl 2-amino-4-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (cas: 95211-67-9) belongs to benzothiophene derivatives. Benzothiophene is a fused ring compound of thiophene ring and benzene ring, which is an important class of heterocycles with advantageous structures. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Formula: C12H17NO2S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

PEG/PVDF membranes for separating organosulphur compounds from N-heptane: Effect pf PEG molecular weight was written by Hu, Wenling;Han, Xiaolong;Liu, Liangliang;Zhang, Xin;Xue, Juanqin;Wang, Baoyi;Zhang, Peng;Cao, Xingzhong. And the article was included in Canadian Journal of Chemical Engineering in 2017.Formula: C6H8S The following contents are mentioned in the article:

Polyethylene glycol (PEG) of three different mol. weights were used to prepared PEG/PVDF composite membranes for separating organosulphur compounds from n-heptane by pervaporation. All the composite membranes were characterized by Fourier transform IR spectroscopy (FTIR), SEM (SEM) X-ray diffraction (XRD) and positron annihilation spectroscopy (PAS). The effects of operating temperature, feed sulfur content and organosulphur species on performance of PEG/PVDF composite membranes with different mol. weights were investigated. When the feed organosulphur was thiophene, the fluxes decreased with an increase in PEG mol. weights, however, the enrichment factors were in the different order, PEG membrane with mol. weight of 35 000 exhibited highest enrichment factor of 12.59 for thiophene at 85 °C. When the feed organosulphur was 2-Methylthiophene or 2, 5-Dimethylthiophene, it was found that PEG membrane with mol. weight of 100 000 showed highest enrichment factor. The results showed that PEG mol. weights have a considerable effect on separation performance for pervaporation desulphurization. This article is protected by copyright. All rights reserved. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Formula: C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. It is found within the chemical structures of pharmaceutical drugs such as zileuton, raloxifene, and sertaconazole, and also BTCP.Formula: C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Characterization of typical potent odorants in raw and cooked Toona sinensis (A. Juss.) M. Roem. by instrumental-sensory analysis techniques was written by Yang, Wenxi;Cadwallader, Keith R.;Liu, Yuping;Huang, Mingquan;Sun, Baoguo. And the article was included in Food Chemistry in 2019.Computed Properties of C6H8S The following contents are mentioned in the article:

Toona sinensis (A. Juss.) M. Roem. (TS) possesses a unique and pleasant flavor and is consumed as a popular seasonal vegetable in certain parts of eastern and southeastern Asia. The potent odorants in raw and cooked TS were identified by combined sensory and instrumental anal. techniques, including sensory descriptive aroma profiling and two complimentary volatile isolation methods combined with gas chromatog.-olfactometry (GC-O) techniques. Highly volatile odorants were determined by static headspace dilution anal. (SHDA)-GC-O, while those of intermediate- and semi-volatility were determined by solvent-assisted flavor evaporation-aroma extract dilution anal. (SAFE-AEDA). Among the numerous odorants identified by SHDA and SAFE-AEDA, (E,E)-bis-(1-propenyl) disulfide was found to be predominant in both raw and cooked TS. In agreement with results of sensory descriptive anal., hexanal, (Z)-3-hexenal, (E)-2-hexenal and (Z)-3-hexen-1-ol contributed green, grassy and leafy aroma notes; while hydrogen sulfide, Me thiirane, (E,E)-bis-(1-propenyl) disulfide and (E,Z)-bis-(1-propenyl) disulfide contributed pungent, sulfurous and alliaceous notes in TS. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Computed Properties of C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. It is also used in the manufacturing of dyes such as thioindigo.Computed Properties of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Elicitation of organosulfur bioactive compounds with Fe³⁺ and Zn²⁺ in cell suspension culture of single garlic (Allium sativum L.) was written by Setiowati, Frida Kunti;Widoretno, Wahyu;Prasetyawan, Sasangka;Lukiati, Betty. And the article was included in Farmacia (Bucharest, Romania) in 2022.Application of 638-02-8 The following contents are mentioned in the article:

Single garlic (Allium sativum L.) is an herbal plant that is rich in organosulfur compounds and widely used for the treatment in health problems such as high blood pressure, hypercholesterolemia, atherosclerosis and cancer. This study aims to investigate the different concentrations effect of Fe³⁺ and Zn²⁺ elicitor (0, 0.1, 0.2, 0.3, 0.4, 0.5 mM, resp.) in single garlic cell suspension culture. The formation of suspension culture was done by culturing the callus in Murashige and Skoog liquid medium. The HPLC anal. revealed the presence of 30 organosulfur compounds The Fe³⁺ and Zn²⁺ elicitors can increase the growth of cell suspension culture and production of organosulfur compounds The highest of fresh weight, dry weight, settled cell volume, growth index were produced in the medium augmented by 0.5 mM Fe³⁺ and 0.5 mM Zn²⁺, while organosulfur compounds increase with 0.3 mM Zn²⁺ (2-fold) and 0.5 mM Fe³⁺ (1.5-fold). The Fe³⁺ and Zn²⁺ metal ions are effective elicitors to increase the production of organosulfur bioactive compounds This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Application of 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is used as starting material for the synthesis of bioactive molecules. The core structure is a part of various pharmaceutical substances and natural products. It is found within the chemical structures of pharmaceutical drugs such as raloxifene, zileuton, and sertaconazole, and also BTCP.Application of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Analysis of pyrolysis liquids obtained from the slow pyrolysis of a German brown coal by comprehensive gas chromatography mass spectrometry was written by Rathsack, Philipp. And the article was included in Fuel in 2017.Product Details of 638-02-8 The following contents are mentioned in the article:

Due to the upcoming shortage of crude oil and natural gas, alternative resources for the production of chems. are needed and long-term research should be conducted. One of the future possible methods for the production of valuable chems. is the use of coal and its conversion by pyrolysis. During pyrolysis, macromol. organic compounds are decomposed into smaller compounds, which can be used. The development of these processes requires compositional knowledge of the products, which are very complex mixtures of organic compounds Pyrolysis liquids obtained in a fixed bed reactor at different pyrolysis temperatures between 400 and 700° is analyzed qual. and quant. by comprehensive gas chromatog. mass spectrometry (GC×GC-MS). More than thousand compounds were observed in each of the samples. Selected compound classes (alkanes, alkenes, alkylbenzenes, phenols, carboxylic acids and thiophenes) are discussed. Quantification results of 94 compounds are given, visualized and discussed in relation to the pyrolysis conditions. It is demonstrated, that the application of GC×GC-MS is highly beneficial for the anal. of pyrolysis liquids from coal. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Product Details of 638-02-8).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophene is relatively a stable molecule. The core structure is a part of various pharmaceutical substances and natural products. The different substitution patterns in these heterocycles offer new opportunities for drug discovery and other applications in materials science.Product Details of 638-02-8

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem

Synthesis and complexation behavior of 3,4-bis(chloromercurio)2,5-dimethylthiophene was written by Sa, Shreenibasa;Sathesh, Venkatesan;Murali, Anna Chandrasekar;Nayak, Prakash;Venkatasubbaiah, Krishnan. And the article was included in Journal of Organometallic Chemistry in 2021.Synthetic Route of C6H8S The following contents are mentioned in the article:

Synthesis of a new bidentate Lewis acid 3,4-bis(chloromercurio)2,5-dimethylthiophene (1) has been reported which is not accessible using other methods. Crystallization of compound 1 from a THF (THF) and DMSO (DMSO) results Lewis acid-nucleophile (Lewis base) adduct in 1:2 ratio such as C₆H₆SHg₂Cl₂•2THF (2) & C₆H₆SHg₂Cl₂•2DMSO (3) resp. The bifunctional Lewis acid on crystallization with Et₄NCl resulted in the formation of compound 4 {[(C₆H₆SHg₂Cl₂)₃Cl₂][Et₄N]₂}, which is a unique 3:2 adduct of compound 1 with chloride anion. Compounds 1–4 have been characterized by NMR, elemental anal., and X-ray crystallog. The solid state structures of compounds 1–4 reveals the existence of Hg•••Cl, C-H•••Cl weak interactions which lead to the formation of 1D, 2D and 3D supramol. structures. This study involved multiple reactions and reactants, such as 2,5-Dimethylthiophene (cas: 638-02-8Synthetic Route of C6H8S).

2,5-Dimethylthiophene (cas: 638-02-8) belongs to benzothiophene derivatives. Benzothiophenes are valuable heterocycles that are widely used in medicines, agrochemicals, and materials science. Due to its aromaticity, thiophenes do not exhibit the same properties as conventional thioethers.Synthetic Route of C6H8S

Referemce:
Benzothiophene – Wikipedia,
Benzothiophene | C8H6S – PubChem