4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

Base Information

• Chemical Name: 4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
• CAS No.: 35212-95-4
• Molecular Formula: C₁₀H₇ClO₂S
• Molecular Weight: 226.683
• Hs Code.: 2934999090
• Mol file: 35212-95-4.mol

Synonyms:4-Chlorobenzo[b]thiophene-2-carboxylicacid methyl ester; Methyl 4-chlorobenzo[b]thiophene-2-carboxylate

Chemical Property of 4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 95-97°
• Refractive Index: 1.646
• Boiling Point: 338.693°C at 760 mmHg
• Flash Point: 158.636°C
• PSA: 54.54000
• Density: 1.392g/cm³
• LogP: 3.34130
• Storage Temp.: 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl4-Chlorobenzo[b]thiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Methyl 4-Chlorobenzo[b]thiophene-2-carboxylate is a reactant in the synthesis of novel tachykinin NK2 receptor antagonists.

Technology Process of 4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

There total 4 articles about 4-CHLORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

2-chloro-6-nitrobenzaldehyde (6361-22-4) + Methyl thioglycolate (2365-48-2) → 4-chlorobenzo[b]thiophene-2-carboxylic acid methyl ester (35212-95-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃;

Reference yield: 89.0%

2-chloro-6-fluorobenzaldehyde (387-45-1) + Methyl thioglycolate (2365-48-2) → 4-chlorobenzo[b]thiophene-2-carboxylic acid methyl ester (35212-95-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 15h;

DOI:10.1016/j.ejmech.2019.04.024

Reference yield:

2,6-dichlorobenzaldehyde (83-38-5) + Methyl thioglycolate (2365-48-2) → 4-chlorobenzo[b]thiophene-2-carboxylic acid methyl ester (35212-95-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃;

DOI:10.1002/cmdc.201800238

upstream raw materials:

2-chloro-6-nitrobenzaldehyde

Methyl thioglycolate

2-chloro-6-fluorobenzaldehyde

2,6-dichlorobenzaldehyde

Downstream raw materials:

4-chloro-2-benzo[b]thiophenecarboxylic acid

1-(4-chlorobenzo[b]thiophen-2-yl)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutan-1-one

1-(4-chlorobenzo[b]thiophen-2-yl)-3-(3 ,5-dichlorophenyl)-4,4,4-trifluorobut-2-en-1-one

3-(4-chlorobenzo[b]thiophen-2-yl)-5-(3 ,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazole

Refernces

• 1、 Shaaban, Saad,Li, Houhua,Otte, Felix,Strohmann, Carsten,Antonchick, Andrey P.,Waldmann, Herbert. "Enantioselective Synthesis of Five-Membered-Ring Atropisomers with a Chiral Rh(III) Complex". . p. 9199 - 9202. Retrieved 2020/11/30.
• 2、 Bayer, Theresa,Chakrabarti, Alokta,Lancelot, Julien,Shaik, Tajith B.,Hausmann, Kristin,Melesina, Jelena,Schmidtkunz, Karin,Marek, Martin,Erdmann, Frank,Schmidt, Matthias,Robaa, Dina,Romier, Christophe,Pierce, Raymond J.,Jung, Manfred,Sippl, Wolfgang. "Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as SmHDAC8 Inhibitors for the Treatment of Schistosomiasis". . p. 1517 - 1529. Retrieved 2018/08/01.