Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-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)-2-oxo-, methyl ester
CAS No.:87216-19-1
Molecular Formula:C20H15Cl2N3O3
Molecular Weight:416.2574
Hs Code.:
DSSTox Substance ID:DTXSID60236202

Synonyms:BRN 4592753;Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-2-oxo-, methyl ester;87216-19-1;C20H15Cl2N3O3;DTXSID60236202;C20-H15-Cl2-N3-O3;LS-127640

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

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

Chemical Property:

Vapor Pressure:2.59E-15mmHg at 25°C
Boiling Point:620.3°Cat760mmHg
Flash Point:329°C
Density:1.48g/cm³
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:415.0490467
Heavy Atom Count:28
Complexity:724

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C2CN=C(C3=C(N2CC(=O)N1)C=CC(=C3)Cl)C4=CC=CC=C4Cl

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

There total 1 articles about Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-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: 74.0%

: 87216-18-0
7-chloro-α-(2-chloroacetylamino)-5-(2-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ylidene acetic acid methyl ester

: 87216-19-1
9-chloro-7-(2-chlorophenyl)-2-oxo-1,2,3,5-tetrahydropyrazino<1,2-a><1,4>-benzodiazepine-4-carboxylic acid methyl ester

Guidance literature:: With triethylamine; In N,N-dimethyl-formamide; for 0.0833333h; Heating;
DOI:10.1002/jhet.5570200357

Reference yield: 79.0%

: 87216-19-1
9-chloro-7-(2-chlorophenyl)-2-oxo-1,2,3,5-tetrahydropyrazino<1,2-a><1,4>-benzodiazepine-4-carboxylic acid methyl ester

: 87216-22-6
9-chloro-7-(2-chlorophenyl)-2-oxo-1,2,3,5-tetrahydropyrazino<1,2-a><1,4>benzodiazepine-4-carboxylic acid

Guidance literature:: With potassium hydroxide; acetic acid; In methanol; water; for 2.5h; Heating;
DOI:10.1002/jhet.5570200357

Reference yield:

: 87216-19-1
9-chloro-7-(2-chlorophenyl)-2-oxo-1,2,3,5-tetrahydropyrazino<1,2-a><1,4>-benzodiazepine-4-carboxylic acid methyl ester

: 87216-25-9
9-chloro-7-(2-chlorophenyl)-N-methyl-2-oxo-1,2,3,5-tetrahydropyrazino<1,2-a><1,4>benzodiazepine-4-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 79 percent / KOH; acetic acid / methanol; H₂O / 2.5 h / Heating

2: 1.) thionyl chloride / 1.) room temp., 2 min; 2.) THF

With potassium hydroxide; thionyl chloride; acetic acid; In methanol; water;
DOI:10.1002/jhet.5570200357