7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one

Base Information

Chemical Name:7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one
CAS No.:193686-76-9
Molecular Formula:C17H16ClNO3S
Molecular Weight:349.838
Hs Code.:
Mol file:193686-76-9.mol

Synonyms:5H-1-Benzazepin-5-one, 7-chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-;

Suppliers and Price of 7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-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

TRC
7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one
10mg
$ 160.00

J&W Pharmlab
7-Chloro-1-(toluene-4-sulfonyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one 96%
1g
$ 580.00

Total 12 raw suppliers

Chemical Property of 7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one

Chemical Property:

Refractive Index:1.619
Boiling Point:536.5 °C at 760 mmHg
PKA:-4.58±0.20(Predicted)
Flash Point:278.3 °C
PSA：62.83000
Density:1.36 g/cm³
LogP:4.96600

Purity/Quality:

97% ^*data from raw suppliers

7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Uses 7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one is used as a reactant in the asymetric preparation of an intermediate in the synthesis of both enantiomers of Tolvaptan (T536650).

Technology Process of 7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one

There total 8 articles about 7-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-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: 60.0%

: 247237-43-0
methyl 5-chloro-2-[N-(3-ethoxycarbonyl)propyl-N-p-toluenesulfonyl]aminobenzoate

: 193686-76-9
7-chloro-1-(4-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one

Guidance literature:: methyl 5-chloro-2-[N-(3-ethoxycarbonyl)propyl-N-p-toluenesulfonyl]aminobenzoate; With potassium tert-butylate; In toluene; for 0.5h; Heating;

With hydrogenchloride; In acetic acid; for 5h; Heating;
DOI:10.1016/S0968-0896(99)00101-7

Reference yield: 59.0%

: 313673-93-7
7-chloro-1-toluenesulfonyl-2,3,4,5-tetrahydro-1H-1-benzazepine

: 193686-76-9
7-chloro-1-(4-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one

Guidance literature:: With Celite; pyridinium chlorochromate; In benzene; for 24h; Reflux;
DOI:10.1055/s-0028-1087298

Reference yield:

: 5202-89-1
4-chlorobenzenesulfonyl chloride

: 193686-76-9
7-chloro-1-(4-methylbenzenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: 85 percent / pyridine / 20 °C

2.1: 94 percent / K₂CO₃ / dimethylformamide / 4 h / 120 °C

3.1: t-BuOK / toluene / 0.5 h / Heating

3.2: 60 percent / conc. HCl / acetic acid / 5 h / Heating

With pyridine; potassium tert-butylate; potassium carbonate; In N,N-dimethyl-formamide; toluene; 1.1: Tosylation / 2.1: Alkylation / 3.1: Cyclization / 3.2: Hydrolysis;
DOI:10.1016/S0968-0896(99)00101-7