9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(4-chlorobenzoyl)-

Base Information

• Chemical Name: 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(4-chlorobenzoyl)-
• CAS No.: 144109-14-8
• Molecular Formula: C₂₂H₂₀ClN₃O
• Molecular Weight: 377.873
• DSSTox Substance ID: DTXSID30932224
• Nikkaji Number: J547.035H
• ChEMBL ID: CHEMBL343740
• Mol file: 144109-14-8.mol

Synonyms:144109-14-8;9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(4-chlorobenzoyl)-;C22H20ClN3O;CHEMBL343740;DTXSID30932224;LS-127780;10,11,12,12a-Tetrahydro-11-(4-chlorobenzoyl)-8H,9H-3a,8a,11-triazadibenz[e,h]azulene;(4-Chlorophenyl)(11,12,14,14a-tetrahydro-9H,13H-pyrazino[2,1-c]pyrrolo[1,2-a][1,4]benzodiazepin-13-yl)methanone

Chemical Property of 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(4-chlorobenzoyl)-

Chemical Property:

• Vapor Pressure: 3.83E-13mmHg at 25°C
• Boiling Point: 573.2°C at 760 mmHg
• Flash Point: 300.4°C
• Density: 1.33g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 377.1294900
• Heavy Atom Count: 27
• Complexity: 550

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN2CC3=CC=CC=C3N4C=CC=C4C2CN1C(=O)C5=CC=C(C=C5)Cl

Technology Process of 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(4-chlorobenzoyl)-

There total 1 articles about 9H,11H-Pyrazino(2,1-c)pyrrolo(1,2-a)(1,4)benzodiazepine, 12,13,14,14a-tetrahydro-13-(4-chlorobenzoyl)- 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: 66.0%

4-chloro-benzoyl chloride (122-01-0) + 3b,4,6,7-tetrahydro-5H,9H-pyrazino<2,1-c>pyrrolo<1,2-a><1,4>benzodiazepine (122485-01-2) → (4-Chloro-phenyl)-(9,10,12,12a-tetrahydro-8H-3a,8a,11-triaza-dibenzo[e,h]azulen-11-yl)-methanone (144109-14-8)

Guidance literature:

With triethylamine; In dichloromethane; for 2h; Ambient temperature;

DOI:10.1021/jm00102a004

upstream raw materials:

4-chloro-benzoyl chloride

3b,4,6,7-tetrahydro-5H,9H-pyrazino<2,1-c>pyrrolo<1,2-a><1,4>benzodiazepine