4-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester

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4-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester Basic information
Product Name:4-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester
Synonyms:4-chloro-2-benzothiophenecarboxylic acid methyl ester;4-chlorobenzothiophene-2-carboxylic acid methyl ester;Benzo[b]thiophene-2-carboxylicacid, 4-chloro-, methyl ester;methyl 4-chlorobenzothiophene-2-carboxylate;Trimethadione Impurity 7
CAS:35212-95-4
MF:C10H7ClO2S
MW:226.68
EINECS:218-944-9
Product Categories:
Mol File:35212-95-4.mol
4-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester Structure
4-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester Chemical Properties
Melting point 95-97°
Boiling point 338.7±22.0 °C(Predicted)
density 1.391±0.06 g/cm3(Predicted)
storage temp. 2-8°C
AppearanceWhite to off-white Solid
InChIInChI=1S/C10H7ClO2S/c1-13-10(12)9-5-6-7(11)3-2-4-8(6)14-9/h2-5H,1H3
InChIKeyCKXPDFHEOUVFRD-UHFFFAOYSA-N
SMILESC12=CC=CC(Cl)=C1C=C(C(OC)=O)S2
Safety Information
HazardClass IRRITANT
HS Code 2934999090
MSDS Information
4-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester Usage And Synthesis
UsesMethyl 4-Chlorobenzo[b]thiophene-2-carboxylate is a reactant in the synthesis of novel tachykinin NK2 receptor antagonists.
References[1] Patent: WO2016/191366, 2016, A1. Location in patent: Page/Page column 34; 35
[2] Journal of Medicinal Chemistry, 2007, vol. 50, # 20, p. 4793 - 4807
[3] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 12, p. 2998 - 3001
4-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester Preparation Products And Raw materials
Raw materials2-Chloro-6-nitrobenzaldehyde-->Methyl thioglycolate-->Potassium carbonate-->N,N-Dimethylformamide-->2-Chloro-6-fluorobenzaldehyde
Tag:4-Chloro-benzo[b]thiophene-2-carboxylic acid methyl ester(35212-95-4) Related Product Information
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