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

Base Information

Chemical Name:Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester
CAS No.:137731-27-2
Molecular Formula:C14H14N4O2S
Molecular Weight:302.3516
Hs Code.:
DSSTox Substance ID:DTXSID00160294
Nikkaji Number:J425.868A
Mol file:137731-27-2.mol

Synonyms:BRN 4818747;Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, ethyl ester;5-(((Ethoxycarbonyl)methyl)thio)-4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine;137731-27-2;DTXSID00160294;5-[(Ethoxycarbonylmethyl)thio]-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine

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

Chemical Property:

Vapor Pressure:5.1E-10mmHg at 25°C
Boiling Point:497.1°Cat760mmHg
Flash Point:254.4°C
Density:1.4g/cm³
XLogP3:1.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:302.08374688
Heavy Atom Count:21
Complexity:418

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CSC1=NC2=CC=CC=C2N3C=NN=C3C1

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

There total 3 articles about Acetic acid, (4H-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-ylthio)-, 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:

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

: 137731-27-2
5-<<(ethoxycarbonyl)methyl>thio>-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepine

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / Lawesson's reagent / various solvent(s) / 0.5 h / 160 °C

2: 1.) NaH / 1.) THF, reflux, 45 min, 2.) THF, reflux, 90 min

With Lawessons reagent; sodium hydride; In various solvent(s);
DOI:10.1016/0223-5234(91)90144-C

Reference yield:

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

: 137731-27-2
5-<<(ethoxycarbonyl)methyl>thio>-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepine

Guidance literature:: Multi-step reaction with 3 steps

1: 54 percent / glacial CH₃COOH / various solvent(s) / 2 h / 200 °C

2: 84 percent / Lawesson's reagent / various solvent(s) / 0.5 h / 160 °C

3: 1.) NaH / 1.) THF, reflux, 45 min, 2.) THF, reflux, 90 min

With Lawessons reagent; sodium hydride; acetic acid; In various solvent(s);
DOI:10.1016/0223-5234(91)90144-C

Reference yield:

: 137731-07-8
<1,2,4>-triazolo<4,3-a><1,5>benzodiazepin-5(6H)-thione

: 105-36-2
ethyl bromoacetate

: 137731-27-2
5-<<(ethoxycarbonyl)methyl>thio>-4H-<1,2,4>triazolo<4,3-a><1,5>benzodiazepine

Guidance literature:: With sodium hydride; Yield given. Multistep reaction; 1.) THF, reflux, 45 min, 2.) THF, reflux, 90 min;
DOI:10.1016/0223-5234(91)90144-C