METHYL 3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLATE

Base Information

• Chemical Name: METHYL 3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLATE
• CAS No.: 21211-07-4
• Molecular Formula: C10H7 Cl O2 S
• Molecular Weight: 226.683
• Hs Code.: 29349990
• Mol file: 21211-07-4.mol

Synonyms:Methyl3-chlorobenzothiophene-2-carboxylate

Chemical Property of METHYL 3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLATE

Chemical Property:

• Vapor Pressure: 9.6E-05mmHg at 25°C
• Melting Point: 80-84 ºC(lit.)
• Boiling Point: 338.8 ºC at 760 mmHg
• Flash Point: 158.7 ºC
• PSA: 54.54000
• Density: 1.391 g/cm³
• LogP: 3.34130

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 3-chlorobenzo[b]thiophene-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of METHYL 3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLATE

There total 4 articles about METHYL 3-CHLOROBENZO[B]THIOPHENE-2-CARBOXYLATE 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: 95.0%

methanol (67-56-1) + 3-chlorobenzo[b]thiophen-2-carbonyl chloride (21815-91-8) → 3-chlorobenzo[b]thiophene-2-carboxylic acid methyl ester (21211-07-4)

Guidance literature:

DOI:10.1002/(SICI)1521-4184(199812)331:12<405::AID-ARDP405>3.0.CO;2-2

Reference yield: 92.0%

methyl (2Z)-3-phenylprop-2-enoate (19713-73-6,1754-62-7) → 3-chlorobenzo[b]thiophene-2-carboxylic acid methyl ester (21211-07-4)

Guidance literature:

With pyridine; thionyl chloride; at 70 ℃; for 0.5h;

Reference yield:

Cinnamic acid (621-82-9) → 3-chlorobenzo[b]thiophene-2-carboxylic acid methyl ester (21211-07-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine; thionyl chloride / chlorobenzene / 72 h / Reflux; Inert atmosphere

2: Reflux; Inert atmosphere

With pyridine; thionyl chloride; In chlorobenzene;

DOI:10.1039/d0md00277a

upstream raw materials:

methanol

3-chlorobenzo[b]thiophen-2-carbonyl chloride

methyl (2Z)-3-phenylprop-2-enoate

Cinnamic acid

Downstream raw materials:

3-chloro-2-hydrazinocarbonylbenzothiophene

methyl benzo[b]thiophene-2-carboxylate

3-chloro-1-benzothiophene-2-carboxylic acid

1-Carboxymethoxy-3,8-dithia-cyclopenta[a]indene-2-carboxylic acid

Refernces

• 1、 Aitken, R. Alan,Bibby, Michael C.,Bielefeldt, Florian,Double, John A.,Laws, Andrea L.,Mathieu, Anne-Laure,Ritchie, Robert B.,Wilson, David W. J.. "Synthesis and antitumour activity of new derivatives of flavone-8- acetic acid (FAA). Part 31): 2-Heteroaryl derivatives". . p. 405 - 411. Retrieved 2007/10/03.
• 2、 Ried, Walter,Oremek, Gerhard,Ocakcioglu, Belkis. "Sythesis of substituted Benzothiophenes". . p. 1424 - 1427. Retrieved 2007/10/02.