(3-Amino-1-benzothien-2-YL)(phenyl)methanone

Base Information

Chemical Name:(3-Amino-1-benzothien-2-YL)(phenyl)methanone
CAS No.:34761-15-4
Molecular Formula:C₁₅H₁₁NOS
Molecular Weight:253.324
Hs Code.:
European Community (EC) Number:668-460-0
DSSTox Substance ID:DTXSID101266052

Synonyms:Oprea1_685897;(3-AMINO-1-BENZOTHIEN-2-YL)(PHENYL)METHANONE;SCHEMBL16581218;DTXSID101266052;AKOS024321092;34761-15-4;(3-Aminobenzo[b]thien-2-yl)phenylmethanone

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (3-Amino-1-benzothien-2-YL)(phenyl)methanone

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:253.05613515
Heavy Atom Count:18
Complexity:314

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3S2)N

Technology Process of (3-Amino-1-benzothien-2-YL)(phenyl)methanone

There total 4 articles about (3-Amino-1-benzothien-2-YL)(phenyl)methanone 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: 52.0%

: 34761-11-0
2-cyanothiophenol

: 70-11-1
α-bromoacetophenone

: 34761-15-4
2-Benzoyl-1-benzothiophen-3-amine

Guidance literature:: 2-cyanothiophenol; With sodium hydride; In N,N-dimethyl-formamide; for 1h;

α-bromoacetophenone; In N,N-dimethyl-formamide; at 20 ℃; for 24h;
DOI:10.1135/cccc20000280

Reference yield:

: 394-47-8
2-fluorobenzonitrile

: 34761-15-4
2-Benzoyl-1-benzothiophen-3-amine

Guidance literature:: Multi-step reaction with 3 steps

1.1: 24 percent / K₂CO₃ / butan-2-one / 20 °C

2.1: 93 percent / AlCl₃ / benzene / 30 h / 20 °C

3.1: NaH / dimethylformamide / 1 h

3.2: 52 percent / dimethylformamide / 24 h / 20 °C

With aluminium trichloride; sodium hydride; potassium carbonate; In N,N-dimethyl-formamide; butanone; benzene; 1.1: Arylation / 2.1: Debenzylation / 3.1: Metallation / 3.2: Cyclization;
DOI:10.1135/cccc20000280

Reference yield:

: 63216-04-6
o-benzyl mercapto-benzonitrile

: 34761-15-4
2-Benzoyl-1-benzothiophen-3-amine

Guidance literature:: Multi-step reaction with 2 steps

1.1: 93 percent / AlCl₃ / benzene / 30 h / 20 °C

2.1: NaH / dimethylformamide / 1 h

2.2: 52 percent / dimethylformamide / 24 h / 20 °C

With aluminium trichloride; sodium hydride; In N,N-dimethyl-formamide; benzene; 1.1: Debenzylation / 2.1: Metallation / 2.2: Cyclization;
DOI:10.1135/cccc20000280