2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-

Base Information

Chemical Name:2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-
CAS No.:50691-94-6
Molecular Formula:C24H18ClN3O
Molecular Weight:399.8722
Hs Code.:
DSSTox Substance ID:DTXSID70198741
Nikkaji Number:J1.609.176F
ChEMBL ID:CHEMBL1907931
Mol file:50691-94-6.mol

Synonyms:2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-;(S)-1,3-Dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one;50691-94-6;CCK antagonist synthetic 6;C24H18ClN3O;SCHEMBL9526220;CHEMBL1907931;BDBM82390;C24-H18-Cl-N3-O;DTXSID70198741;LS-34239;(S)-7-Chloro-3-(1H-indole-3-ylmethyl)-5-phenyl-1H-1,4-benzodiazepine-2(3H)-one

Suppliers and Price of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-

Supply Marketing:

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

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-

Chemical Property:

Vapor Pressure:2.57E-16mmHg at 25°C
Boiling Point:640.8°Cat760mmHg
Flash Point:341.3°C
Density:1.34g/cm³
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:399.1138399
Heavy Atom Count:29
Complexity:632

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)CC4=CNC5=CC=CC=C54
Isomeric SMILES:C1=CC=C(C=C1)C2=N[C@H](C(=O)NC3=C2C=C(C=C3)Cl)CC4=CNC5=CC=CC=C54

Technology Process of 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)-

There total 5 articles about 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-3-(1H-indol-3-ylmethyl)-5-phenyl-, (S)- 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: 13.0%

: 7524-52-9,26988-71-6,5619-09-0,14907-27-8,41222-70-2,67557-19-1,109492-62-8
(S)-tryptophan methyl ester hydrochloride

: 719-59-5
5-chloro-2-aminobenzophenone

: 50691-94-6
(S)-7-chloro-1,3-dihydro-3-(1H-indol-3-ylmethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one

Guidance literature:: With pyridine; for 5h; Heating;
DOI:10.1021/jm00390a019

Reference yield:

: 765842-42-0
(S)-2-Amino-N-(2-benzoyl-4-chloro-phenyl)-3-(1H-indol-3-yl)-propionamide

: 50691-94-6
(S)-7-chloro-1,3-dihydro-3-(1H-indol-3-ylmethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one

Guidance literature:: With sodium hydroxide; In methanol; water; at 20 ℃; for 10h; pH=8.5;
DOI:10.1021/ja9926313

Reference yield:

: 13139-14-5
Boc-Trp-OH

: 50691-94-6
(S)-7-chloro-1,3-dihydro-3-(1H-indol-3-ylmethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / DCC / tetrahydrofuran / 8 h / 20 °C

2: HCl(gas) / CHCl₃ / 20 °C

3: aq. NaOH / methanol; H₂O / 10 h / 20 °C / pH 8.5

With hydrogenchloride; sodium hydroxide; dicyclohexyl-carbodiimide; In tetrahydrofuran; methanol; chloroform; water; 1: Condensation / 2: deprotection / 3: Cyclization;
DOI:10.1021/ja9926313