Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-, methyl ester

Base Information

• Chemical Name: Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-, methyl ester
• CAS No.: 87216-20-4
• Molecular Formula: C₂₁H₁₇Cl₂N₃O₃
• Molecular Weight: 430.29
• DSSTox Substance ID: DTXSID001007427
• Mol file: 87216-20-4.mol

Synonyms:BRN 4601625;87216-20-4;Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-, methyl ester;C21H17Cl2N3O3;DTXSID001007427;LS-127637;Methyl 9-chloro-7-(2-chlorophenyl)-2-hydroxy-1-methyl-1,5-dihydropyrazino[1,2-a][1,4]benzodiazepine-4-carboxylate

Chemical Property of Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-, methyl ester

Chemical Property:

• Vapor Pressure: 2.98E-15mmHg at 25°C
• Boiling Point: 619°C at 760 mmHg
• Flash Point: 328.2°C
• Density: 1.46g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 429.0646968
• Heavy Atom Count: 29
• Complexity: 754

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=O)NC(=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4Cl)C(=O)OC

Technology Process of Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-, methyl ester

There total 2 articles about Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-, methyl ester 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:

[7-Chloro-5-(2-chloro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-(2Z)-ylidene]-(2-chloro-propionylamino)-acetic acid methyl ester (87216-21-5) → 9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-1,2,3,5-tetrahydropyrazino<1,2-a><1,4>-benzodiazepine-4-carboxylic acid methyl ester (87216-20-4)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; for 2h; Yield given; Heating;

DOI:10.1002/jhet.5570200357

Reference yield:

α-amino-7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ylidene acetic acid methyl ester ethanolate → 9-chloro-7-(2-chlorophenyl)-1-methyl-2-oxo-1,2,3,5-tetrahydropyrazino<1,2-a><1,4>-benzodiazepine-4-carboxylic acid methyl ester (87216-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: CH₂Cl₂ / 0.08 h / Heating

2: triethylamine / dimethylformamide / 2 h / Heating

With triethylamine; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570200357

upstream raw materials:

[7-Chloro-5-(2-chloro-phenyl)-1,3-dihydro-benzo[e][1,4]diazepin-(2Z)-ylidene]-(2-chloro-propionylamino)-acetic acid methyl ester