3-Chloro-5-phenoxybenzo[b]thiophene-2-carbonyl chloride

Base Information

• Chemical Name: 3-Chloro-5-phenoxybenzo[b]thiophene-2-carbonyl chloride
• CAS No.: 122024-72-0
• Molecular Formula: C₁₅H₈Cl₂O₂S
• Molecular Weight: 323.199
• DSSTox Substance ID: DTXSID101203202

Synonyms:SCHEMBL9375035;3-Chloro-5-phenoxybenzo[b]thiophene-2-carbonyl chloride;DTXSID101203202;122024-72-0

Chemical Property of 3-Chloro-5-phenoxybenzo[b]thiophene-2-carbonyl chloride

Chemical Property:

• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 321.9622061
• Heavy Atom Count: 20
• Complexity: 360

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC3=C(C=C2)SC(=C3Cl)C(=O)Cl

Technology Process of 3-Chloro-5-phenoxybenzo[b]thiophene-2-carbonyl chloride

There total 3 articles about 3-Chloro-5-phenoxybenzo[b]thiophene-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: 40.0%

(E)-3-(3-phenoxyphenyl)acrylic acid (77124-20-0) → 3-chloro-5-phenoxybenzothiophene-2-carbonyl chloride (122024-72-0)

Guidance literature:

With pyridine; thionyl chloride; N,N-dimethyl-formamide; In chlorobenzene; for 24h; Heating;

DOI:10.1021/jm00083a023

Reference yield:

(E)-3-(3-Phenoxy-phenyl)-acrylic acid → 3-chloro-5-phenoxybenzothiophene-2-carbonyl chloride (122024-72-0)

Guidance literature:

With pyridine; thionyl chloride; at 100 ℃; for 3h;

DOI:10.2174/15701808113106660091

Reference yield:

tert-butyl methyl ether (1634-04-4) + (E)-3-(3-phenoxyphenyl)acrylic acid (77124-20-0) → 3-chloro-5-phenoxybenzothiophene-2-carbonyl chloride (122024-72-0)

Guidance literature:

upstream raw materials:

(E)-3-(3-phenoxyphenyl)acrylic acid

tert-butyl methyl ether

Downstream raw materials:

3-chloro-N-isopropyl-5-phenoxybenzo[b]thiophene-2-carboxamide

(3-chloro-5-phenoxybenzo[b]thiophen-2-yl)(piperidin-1-yl)methanone

3-Isopropoxy-5-phenoxy-benzo[b]thiophene-2-carboxylic acid (1H-tetrazol-5-yl)-amide

3-Isopropoxy-5-phenoxy-benzo[b]thiophene-2-carboxylic acid

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