Benzoic acid, 2,6-dimethoxy-, 2-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)hydrazide

Base Information

• Chemical Name: Benzoic acid, 2,6-dimethoxy-, 2-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)hydrazide
• CAS No.: 84044-28-0
• Molecular Formula: C24H21ClN4O4
• Molecular Weight: 464.9009
• DSSTox Substance ID: DTXSID601004338
• Mol file: 84044-28-0.mol

Synonyms:84044-28-0;BRN 5184891;Benzoic acid, 2,6-dimethoxy-, 2-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)hydrazide;DTXSID601004338;C24-H21-Cl-N4-O4;LS-37124;N'-(7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)-2,6-dimethoxybenzohydrazide;N-(7-Chloro-2-hydroxy-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2,6-dimethoxybenzene-1-carbohydrazonic acid

Chemical Property of Benzoic acid, 2,6-dimethoxy-, 2-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)hydrazide

Chemical Property:

• Boiling Point: 668.9°Cat760mmHg
• Flash Point: 358.3°C
• PSA: 108.03000
• Density: 1.37g/cm³
• LogP: 3.89380
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 464.1251329
• Heavy Atom Count: 33
• Complexity: 717

Purity/Quality:

BENZOIC ACID, 2,6-DIMETHOXY-, 2-(7-CHLORO-2,3-DIHYDRO-2-OXO-5-PHENYL-1 H-1,4-BENZODIAZEPIN-3-YL)HYDRAZIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)NNC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Technology Process of Benzoic acid, 2,6-dimethoxy-, 2-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)hydrazide

There total 2 articles about Benzoic acid, 2,6-dimethoxy-, 2-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)hydrazide 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: 87.0%

7-Chloro-5-phenyl-3-hydrazino-2,3-dihydro-1H-1,4-benzodiazepin-2-one (75878-00-1) + 2,6-dimethoxybenzoyl chloride (1989-53-3) → 7-Chloro-5-phenyl-3-(2',6'-dimethoxybenzoylhydrazino)-2,3-dihydro-1H-1,4-benzodiazepin-2-one (84044-28-0)

Guidance literature:

With pyridine; at 30 - 35 ℃; for 1h;

DOI:10.1007/BF00773096

Reference yield:

3,7-dichloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one (5358-44-1) → 7-Chloro-5-phenyl-3-(2',6'-dimethoxybenzoylhydrazino)-2,3-dihydro-1H-1,4-benzodiazepin-2-one (84044-28-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 78.5 percent / 85percent hydrazine hydrate / 0.5 h / 10 - 12 °C

2: 87 percent / pyridine / 1 h / 30 - 35 °C

With pyridine; hydrazine hydrate;

DOI:10.1007/BF00773096

upstream raw materials:

7-Chloro-5-phenyl-3-hydrazino-2,3-dihydro-1H-1,4-benzodiazepin-2-one

2,6-dimethoxybenzoyl chloride

3,7-dichloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-one