ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate

Base Information

Chemical Name:ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
CAS No.:70965-24-1
Molecular Formula:C6H8N4O4
Molecular Weight:200.154
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90361576
Wikidata:Q82143941
ChEMBL ID:CHEMBL1481352
Mol file:70965-24-1.mol

Synonyms:ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate;70965-24-1;ethyl 2-(3-nitro-1,2,4-triazol-1-yl)acetate;Ethyl 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate;(3-Nitro-[1,2,4]triazol-1-yl)-acetic acid ethyl ester;1H-1,2,4-Triazole-1-acetic acid, 3-nitro-, ethyl ester;ethyl 3-nitro-1,2,4-triazol-1-ylacetate;MLS000523661;CHEMBL1481352;DTXSID90361576;HMS2383L12;MFCD00297199;STK343962;AKOS000305868;AKOS015922360;CCG-116609;LS-01635;SMR000122734;CS-0242250;EN300-246479;Ethyl2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate

Suppliers and Price of ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate

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

TRC
ethyl(3-nitro-1H-1,2,4-triazol-1-yl)acetate
250mg
$ 310.00

Matrix Scientific
Ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate
500mg
$ 252.00

Crysdot
Ethyl2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate 97%
5g
$ 904.00

Crysdot
Ethyl2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate 97%
1g
$ 320.00

Total 6 raw suppliers

Chemical Property of ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate

Chemical Property:

PSA：102.83000
LogP:0.27260
XLogP3:0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:200.05455475
Heavy Atom Count:14
Complexity:228

Purity/Quality:

98%min ^*data from raw suppliers

ethyl(3-nitro-1H-1,2,4-triazol-1-yl)acetate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CN1C=NC(=N1)[N+](=O)[O-]

Technology Process of ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate

There total 3 articles about ethyl (3-nitro-1H-1,2,4-triazol-1-yl)acetate 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: 91.0%

: 105-39-5
chloroacetic acid ethyl ester

: 24807-55-4
3-nitro-1,2,4-triazole

: 70965-24-1
ethyl 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate

Guidance literature:: With sodium ethanolate; In ethanol; at 120 ℃; for 30h; sealed tube;
DOI:10.1016/S0040-4020(01)85460-0

Reference yield: 68.0%

: 105-36-2
ethyl bromoacetate

: 24807-55-4
3-nitro-1,2,4-triazole

: 70965-24-1
ethyl 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate

Guidance literature:: 3-nitro-1,2,4-triazole; With ethanol; sodium ethanolate; at 0 ℃; for 0.5h;

ethyl bromoacetate; In ethanol; for 6h; Reflux;
DOI:10.1021/acs.jmedchem.7b00662