7-chloro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2(3H)-one

Base Information

Chemical Name:7-chloro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2(3H)-one
CAS No.:13540-43-7
Molecular Formula:C15H12ClNOS
Molecular Weight:289.785
Hs Code.:
DSSTox Substance ID:DTXSID30473263
Nikkaji Number:J1.853.954C
Mol file:13540-43-7.mol

Synonyms:13540-43-7;7-chloro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2(3H)-one;7-chloro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2-one;AGN-PC-0O4RYA;DTXSID30473263;PD127935;7-chloro-3,5-dihydro-5-phenyl-1h-4,1-benzothiazepine-2-one;7-chloro-5-phenyl-3,5-dihydrobenzo[e][1,4]thiazepin-2(1H)-one

Suppliers and Price of 7-chloro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2(3H)-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 7-chloro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2(3H)-one

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:289.0328129
Heavy Atom Count:19
Complexity:332

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1C(=O)NC2=C(C=C(C=C2)Cl)C(S1)C3=CC=CC=C3

Technology Process of 7-chloro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2(3H)-one

There total 4 articles about 7-chloro-5-phenyl-1,5-dihydro-4,1-benzothiazepin-2(3H)-one 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:

: 15949-14-1
(2-amino-5-chloro-benzhydrylsulfanyl)-acetic acid

: 13540-43-7
7-chloro-5-phenyl-1,2,3,5-tetrahydro-4,1-benzothiazepin-2-one

Guidance literature:: In xylene; for 1h; Heating;
DOI:10.1002/ardp.19673000403

Reference yield:

: 1159372-20-9,7039-50-1
(2-amino-5-chlorophenyl)(phenyl)methanol

: 13540-43-7
7-chloro-5-phenyl-1,2,3,5-tetrahydro-4,1-benzothiazepin-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: 86 percent / trifluoroacetic acid / 20 °C

2: NaOH / H₂O; tetrahydrofuran; methanol / 20 °C

3: 0.518 g / diisopropylethylamine; 4-dimethylaminopyridine; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide / tetrahydrofuran / 20 °C

With dmap; sodium hydroxide; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; water;
DOI:10.1021/jo020446t

Reference yield:

: 488828-37-1
[(2-amino-5-chlorophenyl)-phenyl-methylsulfanyl]-acetic acid methyl ester

: 13540-43-7
7-chloro-5-phenyl-1,2,3,5-tetrahydro-4,1-benzothiazepin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: NaOH / H₂O; tetrahydrofuran; methanol / 20 °C

2: 0.518 g / diisopropylethylamine; 4-dimethylaminopyridine; 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide / tetrahydrofuran / 20 °C

With dmap; sodium hydroxide; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; water;
DOI:10.1021/jo020446t