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

Base Information

Chemical Name:3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one
CAS No.:15218-07-2
Molecular Formula:C17H17NO3S
Molecular Weight:315.39
Hs Code.:2933990090
NSC Number:114931
DSSTox Substance ID:DTXSID50297246
Nikkaji Number:J108.414C
Wikidata:Q82038256
Mol file:15218-07-2.mol

Synonyms:15218-07-2;3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-benzazepin-5-one;1H-3-Benzazepin-1-one,2,3,4,5-tetrahydro-3-[(4-methylphenyl)sulfonyl]-;2,3,4,5-Tetrahydro-3-[(4-methylphenyl)sulfonyl]-1H-3-benzazepin-1-one;3-(4-Methylbenzene-1-sulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one;NSC114931;1H-3-Benzazepin-1-one, 2,3,4,5-tetrahydro-3-(p-tolylsulfonyl)-;Oprea1_473958;SCHEMBL16572402;DTXSID50297246;3-[(4-methylbenzene)sulfonyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one;3-[(4-methylphenyl)sulfonyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-1-one;AKOS024341792;NSC-114931;FT-0687712;1H-3-Benzazepin-1-one,3,4,5-tetrahydro-3-(p-tolylsulfonyl)-;1H-3-Benzazepin-1-one,3,4,5-tetrahydro-3-[(4-methylphenyl)sulfonyl]-

Suppliers and Price of 3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-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

American Custom Chemicals Corporation
3-(TOLUENE-4-SULFONYL)-2,3,4,5-TETRAHYDRO-BENZO(D)AZEPIN-1-ONE 95.00%
5MG
$ 501.31

Total 7 raw suppliers

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

Chemical Property:

Vapor Pressure:4.46E-10mmHg at 25°C
Melting Point:152-154 °C(Solv: methanol (67-56-1))
Refractive Index:1.613
Boiling Point:498.624 °C at 760 mmHg
PKA:-8.75±0.20(Predicted)
Flash Point:255.359 °C
PSA：62.83000
Density:1.287 g/cm³
LogP:3.44340
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:315.09291458
Heavy Atom Count:22
Complexity:503

Purity/Quality:

99% ^*data from raw suppliers

3-(TOLUENE-4-SULFONYL)-2,3,4,5-TETRAHYDRO-BENZO(D)AZEPIN-1-ONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C(=O)C2

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

There total 7 articles about 3-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-3-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:

: 66895-91-8
N-(2-phenylethyl)-N-[(4-methylphenyl)sulfonyl]glycine

: 15218-07-2
3-tosyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-one

Guidance literature:: N-(2-phenylethyl)-N-[(4-methylphenyl)sulfonyl]glycine; With thionyl chloride; In N,N-dimethyl-formamide; at 40 ℃; for 12h; Inert atmosphere;

With aluminum (III) chloride; In dichloromethane; at -20 - 30 ℃; Inert atmosphere;

Reference yield:

: 5450-75-9
4-methyl-N-(2-phenylethyl)benzenesulfonamide

: 15218-07-2
3-tosyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-one

Guidance literature:: Multi-step reaction with 3 steps

1.1: acetone / 18 h / 75 °C / Inert atmosphere

2.1: sodium hydroxide / water; ethanol / 3 h / 50 °C

3.1: thionyl chloride / N,N-dimethyl-formamide / 12 h / 40 °C / Inert atmosphere

3.2: -20 - 30 °C / Inert atmosphere

With thionyl chloride; sodium hydroxide; In ethanol; water; N,N-dimethyl-formamide; acetone;

Reference yield:

: ethyl N-phenethyl-N-tosylglycinate

: 15218-07-2
3-tosyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydroxide / water; ethanol / 3 h / 50 °C

2.1: thionyl chloride / N,N-dimethyl-formamide / 12 h / 40 °C / Inert atmosphere

2.2: -20 - 30 °C / Inert atmosphere

With thionyl chloride; sodium hydroxide; In ethanol; water; N,N-dimethyl-formamide;