8-chloro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one

Base Information

Chemical Name:8-chloro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one
CAS No.:38314-49-7
Molecular Formula:C17H16ClNO3S
Molecular Weight:349.83
Hs Code.:2933990090
NSC Number:163829
DSSTox Substance ID:DTXSID90303971
Wikidata:Q72459648
Mol file:38314-49-7.mol

Synonyms:38314-49-7;8-chloro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one;8-Chloro-1,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-5H-1-benzazepin-5-one;NSC163829;Oprea1_741110;DTXSID90303971;NSC-163829;8-chloro-5-oxo-1-(p-toluenesulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepine

Suppliers and Price of 8-chloro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-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
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Total 5 raw suppliers

Chemical Property of 8-chloro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one

Chemical Property:

Vapor Pressure:1.56E-11mmHg at 25°C
Refractive Index:1.619
Boiling Point:535.3 °C at 760 mmHg
Flash Point:277.5 °C
PSA：62.83000
Density:1.36 g/cm³
LogP:4.96600
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:349.0539422
Heavy Atom Count:23
Complexity:537

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=O)C3=C2C=C(C=C3)Cl

Technology Process of 8-chloro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-one

There total 9 articles about 8-chloro-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-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: 51.0%

: 38314-47-5
methyl 4-chloro-2-[N-(3-ethoxycarbonyl)propyl-N-p-toluenesulfonyl]aminobenzoate

: 38314-49-7
8-chloro-5-oxo-2,3,4,5-tetrahydro-1-p-toluenesulfonyl-1H-1-benzazepine

Guidance literature:: methyl 4-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:

: 98-59-9
p-toluenesulfonyl chloride

: 116815-03-3
8-chloro-1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one

: 38314-49-7
8-chloro-5-oxo-2,3,4,5-tetrahydro-1-p-toluenesulfonyl-1H-1-benzazepine

Guidance literature:: With pyridine; at 0 - 20 ℃;

Reference yield:

: 5900-58-3
2-amino-4-chloro-benzoic acid methyl ester

: 38314-49-7
8-chloro-5-oxo-2,3,4,5-tetrahydro-1-p-toluenesulfonyl-1H-1-benzazepine

Guidance literature:: Multi-step reaction with 4 steps

2.1: NaH / dimethylformamide / 0.5 h / 20 °C

2.2: 64 percent / dimethylformamide / 5 h / 90 °C

3.1: tBuOK / toluene / 1 h / Heating

4.1: 7.3 g / aq. HCl / acetic acid; ethanol / 16 h / Heating

With hydrogenchloride; potassium tert-butylate; sodium hydride; In ethanol; acetic acid; N,N-dimethyl-formamide; toluene; 1.1: Tosylation / 2.1: deprotonation / 2.2: Substitution / 3.1: cyclocondensation / 4.1: Decarboxylation;
DOI:10.1016/S0223-5234(00)00122-7