3-Chloroacetylbenzo[b]thiophene

Base Information

• Chemical Name: 3-Chloroacetylbenzo[b]thiophene
• CAS No.: 26167-44-2
• Molecular Formula: C10H7ClOS
• Molecular Weight: 210.68000
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60398970
• Wikidata: Q82201246
• Mol file: 26167-44-2.mol

Synonyms:26167-44-2;3-Chloroacetylbenzo[b]thiophene;1-Benzo[b]thien-3-yl-2-chloroethanone;1-(1-benzothiophen-3-yl)-2-chloroethanone;BIDD:GT0467;SCHEMBL1577953;DTXSID60398970;3-chloroacetylbenzo-(B)-thiophene;BBA16744;AKOS009301568;Ethanone, 1-benzo[b]thien-3-yl-2-chloro-;FT-0767507;1-(1-benzothiophen-3-yl)-2-chloroethan-1-one;EN300-1602200;3-CHLOROACETYLBENZO-B-THIOPHENECRYSTALLI NE;Z370714360

Chemical Property of 3-Chloroacetylbenzo[b]thiophene

Chemical Property:

• PSA: 45.31000
• LogP: 3.32280
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.9906137
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

1-(1-BENZOTHIEN-3-YL)-2-CHLOROETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CS2)C(=O)CCl

Technology Process of 3-Chloroacetylbenzo[b]thiophene

There total 2 articles about 3-Chloroacetylbenzo[b]thiophene 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-acetylbenzothiophene (1128-05-8) → 3-Chloroacetylbenzo-[b]thiophene (26167-44-2)

Guidance literature:

With tetrachloromethane; chloroform; chlorine;

DOI:10.1021/ja01148a516

Reference yield:

→ 3-Chloroacetylbenzo-[b]thiophene (26167-44-2)

Guidance literature:

3-Acetyl-benzothiophen (XII), Cl2/CCl4, CHCl3;

Reference yield:

3-Chloroacetylbenzo-[b]thiophene (26167-44-2) + 1-benzylpiperazine hydrochloride → N1-benzyl-N4-[2-carbonyl-2-(benzo[b]thiophene-3-yl)]ethylpiperazine (1202852-92-3)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone; at 50 ℃; for 8h;

upstream raw materials:

3-acetylbenzothiophene

Downstream raw materials:

N₁-benzyl-N₄-[2-hydroxy-2-(benzo[b]thiophene-3-yl)]ethylpiperazine

N₁-benzyl-N₄-[2-carbonyl-2-(benzo[b]thiophene-3-yl)]ethylpiperazine

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