3-Methoxythiophene-2-carbonyl chloride

Base Information

• Chemical Name: 3-Methoxythiophene-2-carbonyl chloride
• CAS No.: 54450-14-5
• Molecular Formula: C₆H₅ClO₂S
• Molecular Weight: 176.624
• DSSTox Substance ID: DTXSID10491445
• Wikidata: Q82336033
• Mol file: 54450-14-5.mol

Synonyms:3-methoxythiophene-2-carbonyl chloride;54450-14-5;SCHEMBL2937630;DTXSID10491445;3-methoxythiophene-2-carbonylchloride;AKOS019691490;EN300-185767

Chemical Property of 3-Methoxythiophene-2-carbonyl chloride

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.9698783
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(SC=C1)C(=O)Cl

Technology Process of 3-Methoxythiophene-2-carbonyl chloride

There total 2 articles about 3-Methoxythiophene-2-carbonyl chloride 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-methoxythiophene-2-carboxylic acid (60166-83-8) → 3-methoxy-2-thenoyl chloride (54450-14-5)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; benzene; for 0.25h; Heating;

DOI:10.1002/ardp.19923250206

Reference yield:

methyl 3-methoxy-2-thiophenecarboxylate (62353-75-7) → 3-methoxy-2-thenoyl chloride (54450-14-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 96 percent / 1M NaOH / Heating

2: SOCl₂ / dimethylformamide; benzene / 0.25 h / Heating

With sodium hydroxide; thionyl chloride; In N,N-dimethyl-formamide; benzene;

DOI:10.1002/ardp.19923250206

Reference yield: 72.0%

3-methoxy-2-thenoyl chloride (54450-14-5) → 3-methoxythiophene-2-carboxamide (78031-17-1)

Guidance literature:

With ammonia; In diethyl ether; at -40 ℃; for 2h;

DOI:10.1002/ardp.19923250206

upstream raw materials:

3-methoxythiophene-2-carboxylic acid

methyl 3-methoxy-2-thiophenecarboxylate

Downstream raw materials:

3-Methoxy-thiophene-2-carboxylic acid (3-methoxy-phenyl)-amide

1-(3-Hydroxy-2-thienyl)-3-phenyl-1-propanon

3-methoxythiophene-2-carboxamide

3-Methoxy-thiophene-2-carboxylic acid p-tolylamide