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2-Methoxy-Thiobenzamide, also known as 2-Methoxybenzene-1-carbothioamide, is a chemical compound with the molecular formula C8H9NOS. It is classified as an amide and a thioamide, both types of organic compounds, characterized by unique physical and chemical properties. This substance has a molar mass of 167.23 g/mol and is utilized in the synthesis of other chemical compounds. The detailed reactivity, potential health hazards, environmental impact, and safe handling instructions of 2-Methoxy-Thiobenzamide are typically provided in material safety data sheets by the supplier.

42590-97-6

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42590-97-6 Usage

Uses

Used in Chemical Synthesis Industry:
2-Methoxy-Thiobenzamide is used as a key intermediate in the synthesis of various chemical compounds for different applications. Its unique structure and properties make it a valuable building block in the development of new organic compounds, including pharmaceuticals, agrochemicals, and specialty chemicals.
Used in Pharmaceutical Industry:
2-Methoxy-Thiobenzamide is used as a precursor in the synthesis of pharmaceutical compounds. Its amide and thioamide functional groups can be further modified to create new drug candidates with potential therapeutic applications. 2-METHOXY-THIOBENZAMIDE's reactivity and versatility in chemical reactions allow for the development of novel pharmaceutical agents with improved efficacy and safety profiles.
Used in Research and Development:
2-Methoxy-Thiobenzamide is used as a research chemical in academic and industrial laboratories. Its unique properties and reactivity make it an interesting subject for studying various chemical reactions and mechanisms. Researchers can use 2-METHOXY-THIOBENZAMIDE to explore new synthetic routes, develop innovative methodologies, and gain insights into the fundamental aspects of organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 42590-97-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,2,5,9 and 0 respectively; the second part has 2 digits, 9 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 42590-97:
(7*4)+(6*2)+(5*5)+(4*9)+(3*0)+(2*9)+(1*7)=126
126 % 10 = 6
So 42590-97-6 is a valid CAS Registry Number.
InChI:InChI=1/C8H9NOS/c1-10-7-5-3-2-4-6(7)8(9)11/h2-5H,1H3,(H2,9,11)

42590-97-6 Well-known Company Product Price

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  • Alfa Aesar

  • (H32737)  2-Methoxythiobenzamide, 97%   

  • 42590-97-6

  • 250mg

  • 814.0CNY

  • Detail
  • Alfa Aesar

  • (H32737)  2-Methoxythiobenzamide, 97%   

  • 42590-97-6

  • 1g

  • 2269.0CNY

  • Detail
  • Alfa Aesar

  • (H32737)  2-Methoxythiobenzamide, 97%   

  • 42590-97-6

  • 5g

  • 7609.0CNY

  • Detail

42590-97-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methoxybenzenecarbothioamide

1.2 Other means of identification

Product number -
Other names amino(2-methoxyphenyl)methane-1-thione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:42590-97-6 SDS

42590-97-6Relevant articles and documents

A multifunctional photoswitch: 6π electrocyclization versus esipt and metalation

Guérin, Juliette,Léaustic, Anne,Delbaere, Stéphanie,Berthet, Jér?me,Guillot, Régis,Ruckebusch, Cyril,Métivier, Rémi,Nakatani, Keitaro,Orio, Maylis,Sliwa, Michel,Yu, Pei

, p. 12279 - 12288 (2014)

A terthiazole-based molecular switch associating 6π electrocyclization, excited state intramolecular proton transfer (ESIPT), and strong metal binding capability was prepared. The photochemical and photophysical properties of this molecule and of the corr

POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER

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Paragraph 00112-00114, (2021/07/10)

Provided are compounds of Formula (I) and pharmaceutically acceptable salts and compositions thereof, which are useful for treating conditions associated with modulation of UBE2K.

Mo (CO)6-assisted Pd-supported magnetic graphene oxide-catalyzed carbonylation-cyclization as an efficient way for the synthesis of 4(3H)-quinazolinones

Bahadorikhalili, Saeed,Ansari, Samira,Hamedifar, Haleh,Ma'mani, Leila,Babaei, Mohsen,Eqra, Rahim,Mahdavi, Mohammad

, (2019/02/14)

In this paper, a novel catalyst is introduced based on the immobilization of palladium on modified magnetic graphene oxide nanoparticles. The catalyst is characterized by several methods, including transmission electron microscopy, scanning electron microscopy, X-ray fluorescence, vibrating-sample magnetometer, Fourier transform-infrared and dynamic light scattering (DLS) analysis. The activity of the catalyst was investigated in the synthesis of 4(3H)-quinazolinones via Pd-catalyzed carbonylation-cyclization of N-(2-bromoaryl) benzimidamides by Mo (CO)6. The Mo (CO)6 is used as a carbon monoxide source for performing the reaction under mild conditions. The catalyst showed good reusability, and no change in activity was observed after 10?cycles of recovery.

Design, synthesis and fungicidal activity evaluation of novel pyrimidinamine derivatives containing phenyl-thiazole/oxazole moiety

Yan, Zhongzhong,Liu, Aiping,Ou, Yingcan,Li, Jianming,Yi,Zhang, Ning,Liu, Minhua,Huang, Lu,Ren, Jianwei,Liu, Weidong,Hu, Aixi

, p. 3218 - 3228 (2019/06/05)

Diflumetorim is a member of pyrimidinamine fungicides that possess excellent antifungal activities. Nevertheless, as reported that the activity of diflumetorim to corn rust (Puccinia sorghi) was not ideal (EC50 = 53.26 mg/L). Herein, a series of novel pyrimidinamine derivatives containing phenyl-thiazole/oxazole moiety were designed based on our previous study and the structural characteristics of diflumetorim, synthesized and bioassayed to discover novel fungicides with excellent antifungal activities. Among these compounds, T18 gave the optimal fungicidal activity, which respectively offers control effects with EC50 values of 0.93 mg/L against P. sorghi and 1.24 mg/L against E. graminis, significantly superior to commercial fungicides diflumetorim, tebuconazole, and flusilazole. Cell cytotoxicity results suggested that compound T18 has lower toxicities than diflumetorim. Furthermore, DFT calculation indicated that the phenyl-thiazole/oxazole moiety plays an unarguable role in the improvement of activity, which will contribute to designing and developing more potent compounds in the future.

A efficient protocol for the synthesis of thioamides in [DBUH][OAc] at room temperature

Cao, Xian-Ting,Qiao, Li,Zheng, Hui,Yang, Hui-Yong,Zhang, Peng-Fei

, p. 170 - 175 (2018/01/17)

A novel, simple and eco-friendly method to synthesize thioamides from aryl nitriles and sodium sulfide (Na2S·9H2O) catalyzed by 1,8-diazabicyclo[5,4,0]undec-7-enium acetate ([DBUH][OAc]) ionic liquid (IL) at room temperature was developed in this paper. In this reaction, readily available inorganic salt (Na2S·9H2O) serves as the sulfur source, and various functional groups of aryl nitriles were well tolerated at room temperature. In addition, the products were easily separated from the IL which could be reused at least five times without considerable loss of its activity and applied in the green, concise synthesis of ethionamide.

Design, synthesis, DFT study and antifungal activity of the derivatives of pyrazolecarboxamide containing thiazole or oxazole ring

Yan, Zhongzhong,Liu, Aiping,Huang, Mingzhi,Liu, Minhua,Pei, Hui,Huang, Lu,Yi, Haibo,Liu, Weidong,Hu, Aixi

, p. 170 - 181 (2018/03/08)

Pyrazolecarboxamide fungicides are one of the most important classes of agricultural fungicides, which belong to succinodehydrogenase inhibitors (SDHIS). To discover new pyrazolecarboxamide analogues with broad spectrum and high activity, a class of new compounds of pyrazole carboxamide derivatives containing thiazole or oxazole ring were designed by scaffold hopping and bioisosterism, and 36 pyrazole carboxamide derivatives with antifungal activity were synthesized. Those compounds were evaluated against five phytopathogenic fungi, Gibberella zeae, Phytophythora capsici, Sclerotonia sclerotiorum, Erysiphe graminis and Puccinia sorghi. The results indicated that most of the compounds displayed good fungicidal activities, especially against E. graminis. Theoretical calculations were carried out at the B3LYP/6-31G (d, p) level and the full geometry optimization was carried out using the 6-31G (d, p) basis set, and the frontier orbital energy, atomic net charges, molecular docking were discussed, and the structure-activity relationships were also studied.

Crystal landscape of primary aromatic thioamides

Eccles, Kevin S.,Morrison, Robin E.,Maguire, Anita R.,Lawrence, Simon E.

, p. 2753 - 2762 (2014/06/23)

The crystal landscape of a series of primary aromatic thioamides is described, displaying similar characteristic intermolecular hydrogen-bonding interactions in the solid state to those observed in their widely studied amide analogues, including R22(8) dimers and C(4) chains. In a number of cases, high Z′ values were observed in the structures. On the basis of the observed solid-state features, the thioamide functional group, which is a strong hydrogen-bond donor and moderate acceptor, offers considerable potential as a key moiety for crystal engineering.

Solvent-free synthesis of 3,5-di(hetero)aryl-1,2,4-thiadiazoles by grinding of thioamides under oxidative conditions

Xu, Yali,Chen, Jiuxi,Gao, Wenxia,Jin, Huile,Ding, Jinchang,Wu, Huayue

experimental part, p. 151 - 153 (2010/08/06)

An efficient and facile synthesis of 3,5-di(hetero)aryl-1,2,4-thiadiazoles by oxidative dimerisation of thioamides by grinding with NBS under solvent-free conditions at room temperature has been developed. The efficiency of this reaction was demonstrated by the compatibility with trifluoromethyl, methyl, methoxy, chloro, pyridyl and thienyl groups. This method has notable advantages in terms of short reaction times, high yields and is a more practical alternative to the existing methods to access these compounds.

The BF3·OEt2-assisted conversion of nitriles into thioamides with Lawesson's reagent

Nagl, Michael,Panuschka, Claudia,Barta, Andrea,Schmid, Walther

experimental part, p. 4012 - 4018 (2009/05/27)

A method for the thiolysis of nitriles by applying Lawesson's reagent and facilitated by the addition of boron trifluoride-diethyl ether complex is reported. The method opens an easy access to primary thioamides. Aromatic, benzylic, and aliphatic nitriles were converted into the corresponding thioamides in high to quantitative yields (even in unfavorable cases, e.g., ortho-substitut-ed benzonitriles). The reaction was performed in 1,2-dimethoxyethane-tetrahydrofuran or toluene-diethyl ether solvent mixtures at 20-50°C, and exhibited considerable selectivity in the case of multifunctional nitrile substrates, such as cyanomethyl N-acetylphenylalaninate, benzoylacetonitrile, 4-cyanobenzamide, 4-acetylbenzonitrile, or pent-3-enenitrile. Georg Thieme Verlag Stuttgart.

COMPOUNDS, METHODS AND FORMULATIONS FOR THE ORAL DELIVERY OF A GLUCAGON LIKE PEPTIDE (GLP)-1 COMPOUND OR AN MELANOCORTIN 4 RECEPTOR (MC4) AGONIST PEPTIDE

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Page/Page column 78, (2008/06/13)

The present invention relates to novel compounds, methods, and formulations useful for the oral delivery of a GLP-1 compound or an MC4 agonist peptide.

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