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

Base Information

Chemical Name:1-Piperazinecarboxylic acid, 4-(4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl ester
CAS No.:137731-15-8
Molecular Formula:C17H20N6O2
Molecular Weight:340.3797
Hs Code.:
DSSTox Substance ID:DTXSID10160285
Nikkaji Number:J425.857F
Mol file:137731-15-8.mol

Synonyms:BRN 4824110;1-Piperazinecarboxylic acid, 4-(4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl ester;137731-15-8;DTXSID10160285;C17H20N6O2;C17-H20-N6-O2;LS-111003;5-(4-Ethoxycarbonyl-1-piperazinyl)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine

Suppliers and Price of 1-Piperazinecarboxylic acid, 4-(4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-yl)-, ethyl ester

Supply Marketing:

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

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

Chemical Property:

Vapor Pressure:7.23E-13mmHg at 25°C
Boiling Point:566.8°C at 760 mmHg
Flash Point:296.6°C
Density:1.4g/cm³
XLogP3:0.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:340.16477390
Heavy Atom Count:25
Complexity:519

Purity/Quality:

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=C4C2

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

There total 2 articles about 1-Piperazinecarboxylic acid, 4-(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:

: 62537-60-4
2-(Dimethylamino)-1,3-dihydro-2H-1,5-benzodiazepin-2-one

: 137731-15-8
4-(4H-2,3,6,10b-Tetraaza-benzo[e]azulen-5-yl)-piperazine-1-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 54 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:

: 120-43-4
4-ethoxycarbonylpiperazine

: 137731-06-7
4H-<1,2,4>-triazolo<4,3-a><1,5>benzodiazepin-5(6H)-one

: 137731-15-8
4-(4H-2,3,6,10b-Tetraaza-benzo[e]azulen-5-yl)-piperazine-1-carboxylic acid ethyl ester

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