3-Methylbenzo[b]thiophene-2-carbonylchloride

Base Information

• Chemical Name: 3-Methylbenzo[b]thiophene-2-carbonylchloride
• CAS No.: 41280-76-6
• Molecular Formula: C₁₀H₇ClOS
• Molecular Weight: 210.684
• DSSTox Substance ID: DTXSID40491837
• Wikidata: Q82336876
• Mol file: 41280-76-6.mol

Synonyms:41280-76-6;3-methylbenzo[b]thiophene-2-carbonylchloride;3-methylbenzo[b]thiophene-2-carbonyl chloride;3-Methyl-1-benzothiophene-2-carbonyl chloride;Benzo[b]thiophene-2-carbonyl chloride, 3-methyl-;3-Methyl-benzo[b]thiophene-2-carbonyl chloride;SCHEMBL2610245;DTXSID40491837;AKOS015842450;SB67054;FT-0704453

Chemical Property of 3-Methylbenzo[b]thiophene-2-carbonylchloride

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 324.629oC at 760 mmHg
• Flash Point: 150.131oC
• PSA: 45.31000
• Density: 1.353g/cm3
• LogP: 3.58870
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.9906137
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

98%+ ^*data from raw suppliers

3-Methylbenzo[b]thiophene-2-carbonylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC2=CC=CC=C12)C(=O)Cl

Technology Process of 3-Methylbenzo[b]thiophene-2-carbonylchloride

There total 3 articles about 3-Methylbenzo[b]thiophene-2-carbonylchloride 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:

→ 3-methylbenzo[b]thiophene-2-carbonyl chloride (41280-76-6)

Guidance literature:

With phosphorus pentachloride; at 140 ℃;

Reference yield:

3-methylbenzo[b]thiophene-2-carboxylic acid (3133-78-6) → 3-methylbenzo[b]thiophene-2-carbonyl chloride (41280-76-6)

Guidance literature:

With thionyl chloride; at 80 ℃; for 15h; Inert atmosphere;

DOI:10.1021/acs.joc.7b00582

Reference yield:

→ 3-methylbenzo[b]thiophene-2-carbonyl chloride (41280-76-6)

Guidance literature:

7c, Thionylchlorid/Py.;

DOI:10.1021/jo00883a014

upstream raw materials:

3-methylbenzo[b]thiophene-2-carboxylic acid

Downstream raw materials:

N-(4-chlorophenyl)-2-[((3-methylbenzo[b]thien-2-yl)carbonyl)amino]-5-chlorobenzamide

2-Carbamoyl-3-methyl-benzothiophen

Refernces