9H-(1,4)Diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine-11,14-dione, 12,13,15,15a-tetrahydro-

Base Information

Chemical Name:9H-(1,4)Diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine-11,14-dione, 12,13,15,15a-tetrahydro-
CAS No.:144109-22-8
Molecular Formula:C₁₆H₁₅N₃O₂
Molecular Weight:281.314
Hs Code.:
DSSTox Substance ID:DTXSID60932232
Nikkaji Number:J547.029C
ChEMBL ID:CHEMBL337763

Synonyms:11,14-Dioxo-12,13,14,14a-tetrahydro-9H-(1,4)diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine;144109-22-8;9H-(1,4)Diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine-11,14-dione, 12,13,15,15a-tetrahydro-;CHEMBL337763;DTXSID60932232;LS-60243;14-Hydroxy-15,15a-dihydro-9H-[1,4]diazepino[7,1-c]pyrrolo[1,2-a][1,4]benzodiazepin-11(12H)-one;9,12,13,15-Tetrahydro-15aH-[1,4]diazepino[7,1-c]pyrrolo[1,2-a][1,4]benzodiazepine-11,14-dione

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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 9H-(1,4)Diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine-11,14-dione, 12,13,15,15a-tetrahydro-

Chemical Property:

Vapor Pressure:2.36E-15mmHg at 25°C
Boiling Point:621.2°Cat760mmHg
Flash Point:329.5°C
Density:1.42g/cm³
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:281.116426730
Heavy Atom Count:21
Complexity:453

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C3=CC=CN3C4=CC=CC=C4CN2C(=O)CNC1=O

Technology Process of 9H-(1,4)Diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine-11,14-dione, 12,13,15,15a-tetrahydro-

There total 2 articles about 9H-(1,4)Diazepino(7,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine-11,14-dione, 12,13,15,15a-tetrahydro- 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: 58.0%

: [5-(2-Benzyloxycarbonylamino-acetyl)-5,6-dihydro-4H-benzo[f]pyrrolo[1,2-a][1,4]diazepin-4-yl]-acetic acid ethyl ester

: 144109-22-8
11,14-dioxo-12,13,14,14a-tetrahydo-9H,11H-pyrazino[2,1-c]pyrrolo[1,2-a][1,4]benzodiazepine

Guidance literature:: With sodium dihydrogen phosphate; palladium on activated charcoal; In water; acetic acid; for 1h; Heating;
DOI:10.1021/jm00102a004

Reference yield:

: 105701-73-3
5,6-dihydro-4H-pyrrolo<1,2-a><1,4>benzodiazepine-4-acetic acid ethyl ester

: 144109-22-8
11,14-dioxo-12,13,14,14a-tetrahydo-9H,11H-pyrazino[2,1-c]pyrrolo[1,2-a][1,4]benzodiazepine

Guidance literature:: Multi-step reaction with 2 steps

1: 1.74 g / N-ethyl-N'-<3-(dimethylamino)propyl>carbodiimide hydrochloride / CH₂Cl₂ / 2 h / Ambient temperature

2: 58 percent / NaH₂PO₃*H₂o / 10percent Pd/C / acetic acid; H₂O / 1 h / Heating

With sodium dihydrogen phosphate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; palladium on activated charcoal; In dichloromethane; water; acetic acid;
DOI:10.1021/jm00102a004