(S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one

Base Information

Chemical Name:(S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
CAS No.:197658-50-7
Molecular Formula:C₁₈H₂₀N₂O
Molecular Weight:280.37
Hs Code.:
DSSTox Substance ID:DTXSID40443199
Nikkaji Number:J911.053D
Wikidata:Q72506486
Mol file:197658-50-7.mol

Synonyms:197658-50-7;(S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one;(3S)-3-[[(1S)-1-phenylethyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one;(3S)-3-[[(S)-1-Phenylethyl]amino]-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one;SCHEMBL26112893;DTXSID40443199;(S)-3-(((S)-1-phenylethyl)amino)-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one

Suppliers and Price of (S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-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

Crysdot
(S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one 95+%
1g
$ 678.00

Chemenu
(S)-3-(((S)-1-phenylethyl)amino)-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one 95%
1g
$ 641.00

American Custom Chemicals Corporation
(S)-3-(((S)-1-PHENYLETHYL)AMINO)-4,5-DIHYDRO-1H-BENZO[B]AZEPIN-2(3H)-ONE 95.00%
1G
$ 1395.45

American Custom Chemicals Corporation
(S)-3-(((S)-1-PHENYLETHYL)AMINO)-4,5-DIHYDRO-1H-BENZO[B]AZEPIN-2(3H)-ONE 95.00%
5MG
$ 503.88

Alichem
(S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
1g
$ 568.56

Total 5 raw suppliers

Chemical Property of (S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one

Chemical Property:

Melting Point:185-188℃
Boiling Point:473℃
Flash Point:172℃
Density:1.15
Storage Temp.:2-8°C
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:280.157563266
Heavy Atom Count:21
Complexity:351

Purity/Quality:

99% ^*data from raw suppliers

(S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)NC2CCC3=CC=CC=C3NC2=O
Isomeric SMILES:C[C@@H](C1=CC=CC=C1)N[C@H]2CCC3=CC=CC=C3NC2=O

Technology Process of (S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one

There total 2 articles about (S)-3-(((S)-1-Phenylethyl)amino)-4,5-dihydro-1H-benzo[b]azepin-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: 88.0%

: 197658-51-8
3-((S)-1-Phenyl-ethylamino)-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

: 197658-50-7
(S)-3-((S)-1-Phenyl-ethylamino)-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Guidance literature:: With odorless mineral spirits; at 140 ℃; for 16h;
DOI:10.1021/jo971056n

Reference yield:

: 86499-96-9
3-bromo-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

: 197658-50-7
(S)-3-((S)-1-Phenyl-ethylamino)-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / Na₂CO₃, propylene glycol / 3.5 h / 130 °C

2: 88 percent / odorless mineral spirits / 16 h / 140 °C

With propylene glycol; odorless mineral spirits; sodium carbonate;
DOI:10.1021/jo971056n

Reference yield:

: 107-59-5
tert-Butyl chloroacetate

: 197658-50-7
(S)-3-((S)-1-Phenyl-ethylamino)-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

: 109010-60-8
tert-butyl (3S)-3-amino-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetate

Guidance literature:: With sodium hydroxide; hydrogen; tetra(n-butyl)ammonium hydrogensulfate; palladium on activated charcoal; Yield given. Multistep reaction; 1.) toluene, 35 deg C, 1 h; 20 deg C, 16 h, 2.) toluene, 20 deg C, 1 h, 3.) EtOH, 60 deg C, 55 psi, 16 h;
DOI:10.1021/jo971056n