4-Bromo-1-benzothiophene-2-carboxamide

Base Information

• Chemical Name: 4-Bromo-1-benzothiophene-2-carboxamide
• CAS No.: 93103-86-7
• Molecular Formula: C9H6BrNOS
• Molecular Weight: 256.11900
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60541560
• Wikidata: Q82417942
• Mol file: 93103-86-7.mol

Synonyms:4-bromo-1-benzothiophene-2-carboxamide;93103-86-7;4-Bromobenzo[b]thiophene-2-carboxamide;DTXSID60541560;MFCD19381740;AKOS015888726;BF-0776;CS-0366788;J-514805

Chemical Property of 4-Bromo-1-benzothiophene-2-carboxamide

Chemical Property:

• PSA: 71.33000
• LogP: 3.46300
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 254.93535
• Heavy Atom Count: 13
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

4-Bromo-1-benzothiophene-2-carboxamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C(S2)C(=O)N)C(=C1)Br

Technology Process of 4-Bromo-1-benzothiophene-2-carboxamide

There total 4 articles about 4-Bromo-1-benzothiophene-2-carboxamide 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:

ethyl 5-amino-1-benzothiophene-2-carboxylate (25785-10-8) → 4-bromobenzothiophene-2-carboxamide (93103-86-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 91 percent / bromine, anhydreous sodium acetate / acetic acid / roomtemp., 1 h, then 15 min heating

3: 95 percent / 50percent sulphuric acid / acetic acid / reflux, 8h, then room temp.

4: 1) thionylchloride, 2) conc. ammonia / 1) benzene, reflux, 2) ether, 30 min

With ammonium hydroxide; thionyl chloride; sulfuric acid; bromine; sodium acetate; In acetic acid;

Reference yield:

4-bromobenzo[b]thiophene-2-carboxylic acid ethyl ester (93103-82-3) → 4-bromobenzothiophene-2-carboxamide (93103-86-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / 50percent sulphuric acid / acetic acid / reflux, 8h, then room temp.

2: 1) thionylchloride, 2) conc. ammonia / 1) benzene, reflux, 2) ether, 30 min

With ammonium hydroxide; thionyl chloride; sulfuric acid; In acetic acid;

Reference yield:

5-amino-4-bromo-2-carbethoxybenzothiophene (93103-81-2) → 4-bromobenzothiophene-2-carboxamide (93103-86-7)

Guidance literature:

Multi-step reaction with 3 steps

2: 95 percent / 50percent sulphuric acid / acetic acid / reflux, 8h, then room temp.

3: 1) thionylchloride, 2) conc. ammonia / 1) benzene, reflux, 2) ether, 30 min

With ammonium hydroxide; thionyl chloride; sulfuric acid; In acetic acid;

upstream raw materials:

4-bromo-benzo[b]thiophene-2-carboxylic acid

ethyl 5-amino-1-benzothiophene-2-carboxylate

4-bromobenzo[b]thiophene-2-carboxylic acid ethyl ester

5-amino-4-bromo-2-carbethoxybenzothiophene

Downstream raw materials:

4-bromo-2-benzothenylurea