Ethyl 1-benzyl-5-hydroxy-1H-1,2,3-triazole-4-carboxylate

Base Information

Chemical Name:Ethyl 1-benzyl-5-hydroxy-1H-1,2,3-triazole-4-carboxylate
CAS No.:94158-08-4
Molecular Formula:C12H13 N3 O3
Molecular Weight:247.254
Hs Code.:2933990090
European Community (EC) Number:303-078-7
DSSTox Substance ID:DTXSID60916279
Nikkaji Number:J368.381H
Wikidata:Q82887466
ChEMBL ID:CHEMBL3741061
Mol file:94158-08-4.mol

Synonyms:94158-08-4;Ethyl 1-benzyl-5-hydroxy-1H-1,2,3-triazole-4-carboxylate;EINECS 303-078-7;CHEMBL3741061;SCHEMBL15875618;DTXSID60916279;AKOS004904343;Ethyl 1-benzyl-5-oxo-2,5-dihydro-1H-1,2,3-triazole-4-carboxylate

Suppliers and Price of Ethyl 1-benzyl-5-hydroxy-1H-1,2,3-triazole-4-carboxylate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Ethyl 1-benzyl-5-hydroxy-1H-1,2,3-triazole-4-carboxylate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:95-96 °C
Boiling Point:416.857°C at 760 mmHg
PKA:7.23±0.50(Predicted)
Flash Point:205.908°C
PSA：76.98000
Density:1.307g/cm³
LogP:0.79640
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:247.09569129
Heavy Atom Count:18
Complexity:362

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=NNN(C1=O)CC2=CC=CC=C2

Technology Process of Ethyl 1-benzyl-5-hydroxy-1H-1,2,3-triazole-4-carboxylate

There total 4 articles about Ethyl 1-benzyl-5-hydroxy-1H-1,2,3-triazole-4-carboxylate 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: 100.0%

: 1-benzyl-5-hydroxy-4-ethoxycarbonyl-1H-1,2,3-triazole benzylammonium salt

: 94158-08-4
Ethyl 1-phenylmethyl-5-hydroxy-1,2,3-triazole-4-carboxylate

Guidance literature:: With hydrogenchloride; In water; ethyl acetate;
DOI:10.1002/jhet.3426

Reference yield: 77.0%

: 622-79-7
benzyl azide

: 105-53-3
diethyl malonate

: 94158-08-4
Ethyl 1-phenylmethyl-5-hydroxy-1,2,3-triazole-4-carboxylate

Guidance literature:: With potassium carbonate; In dimethyl sulfoxide; for 44h;

Reference yield:

: 100-44-7
benzyl chloride

: 94158-08-4
Ethyl 1-phenylmethyl-5-hydroxy-1,2,3-triazole-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: sodium azide / methanol

2: potassium t-butoxide / ethanol

With sodium azide; potassium tert-butylate; In methanol; ethanol;