1-Piperazinecarboxylic acid, 4-(1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl ester

Base Information

• Chemical Name: 1-Piperazinecarboxylic acid, 4-(1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl ester
• CAS No.: 137731-23-8
• Molecular Formula: C₂₃H₂₄N₆O₂
• Molecular Weight: 416.483
• DSSTox Substance ID: DTXSID80160292
• Nikkaji Number: J425.865G
• Mol file: 137731-23-8.mol

Synonyms:BRN 4828939;1-Piperazinecarboxylic acid, 4-(1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl ester;137731-23-8;DTXSID80160292;C23H24N6O2;LS-110986;1-Phenyl-5-[4-(ethoxycarbonyl)piperazin-1-yl]-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine

Chemical Property of 1-Piperazinecarboxylic acid, 4-(1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl ester

Chemical Property:

• Vapor Pressure: 1.24E-16mmHg at 25°C
• Boiling Point: 647.1°Cat760mmHg
• Flash Point: 345.2°C
• Density: 1.34g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 416.19607403
• Heavy Atom Count: 31
• Complexity: 659

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N4C(=NN=C4C5=CC=CC=C5)C2

Technology Process of 1-Piperazinecarboxylic acid, 4-(1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl ester

There total 3 articles about 1-Piperazinecarboxylic acid, 4-(1-phenyl-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl 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:

benzoic acid hydrazide (613-94-5) → 4-(1-Phenyl-4H-2,3,6,10b-tetraaza-benzo[e]azulen-5-yl)-piperazine-1-carboxylic acid ethyl ester (137731-23-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / glacial CH₃COOH / various solvent(s) / 2 h / 200 °C

2: 1.) titanium tetrachloride, anisole / 1.) toluene, 0 deg C, 2.) toluene, 6h

With titanium tetrachloride; acetic acid; methoxybenzene; In various solvent(s);

DOI:10.1016/0223-5234(91)90144-C

Reference yield:

2-(Dimethylamino)-1,3-dihydro-2H-1,5-benzodiazepin-2-one (62537-60-4) → 4-(1-Phenyl-4H-2,3,6,10b-tetraaza-benzo[e]azulen-5-yl)-piperazine-1-carboxylic acid ethyl ester (137731-23-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 62 percent / glacial CH₃COOH / various solvent(s) / 2 h / 200 °C

2: 1.) titanium tetrachloride, anisole / 1.) toluene, 0 deg C, 2.) toluene, 6h

With titanium tetrachloride; acetic acid; methoxybenzene; In various solvent(s);

DOI:10.1016/0223-5234(91)90144-C

Reference yield:

4-ethoxycarbonylpiperazine (120-43-4) + 1-phenyl-4H-<1,2,4>-triazolo<4,3-a><1,5>benzodiazepin-5(6H)-one (137731-25-0) → 4-(1-Phenyl-4H-2,3,6,10b-tetraaza-benzo[e]azulen-5-yl)-piperazine-1-carboxylic acid ethyl ester (137731-23-8)

Guidance literature:

With titanium tetrachloride; methoxybenzene; Yield given. Multistep reaction; 1.) toluene, 0 deg C, 2.) toluene, 6h;

DOI:10.1016/0223-5234(91)90144-C

upstream raw materials:

4-ethoxycarbonylpiperazine

1-phenyl-4H-<1,2,4>-triazolo<4,3-a><1,5>benzodiazepin-5(6H)-one

benzoic acid hydrazide

2-(Dimethylamino)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

Refernces