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

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-
CAS No.:87216-22-6
Molecular Formula:C19H13Cl2N3O3
Molecular Weight:402.2308
Hs Code.:
DSSTox Substance ID:DTXSID20236203

Synonyms:BRN 4592105;Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-2-oxo-;87216-22-6;C19H13Cl2N3O3;DTXSID20236203;C19-H13-Cl2-N3-O3;LS-127639

Suppliers and Price of Pyrazino(1,2-a)(1,4)benzodiazepine-4-carboxylic acid, 1,2,3,5-tetrahydro-9-chloro-7-(2-chlorophenyl)-2-oxo-

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

Total 0 raw suppliers

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-

Chemical Property:

Vapor Pressure:1.74E-17mmHg at 25°C
Boiling Point:644.4°Cat760mmHg
Flash Point:343.5°C
Density:1.57g/cm³
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:401.0333967
Heavy Atom Count:27
Complexity:708

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2=C(NC(=O)CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)C(=O)O

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-

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)-2-oxo- 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: 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:

: 87216-18-0
7-chloro-α-(2-chloroacetylamino)-5-(2-chlorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-ylidene acetic 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:: Multi-step reaction with 2 steps

1: 74 percent / triethylamine / dimethylformamide / 0.08 h / Heating

2: 79 percent / KOH; acetic acid / methanol; H₂O / 2.5 h / Heating

With potassium hydroxide; acetic acid; triethylamine; In methanol; water; N,N-dimethyl-formamide;
DOI:10.1002/jhet.5570200357

Reference yield:

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

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

Guidance literature:: With thionyl chloride; ammonia; Yield given. Multistep reaction; 1) room temp., 2 min; 2) THF,;
DOI:10.1002/jhet.5570200357