Ethyl 5-phenyl-1,2,3-triazolidine-4-carboxylate

Base Information

Chemical Name:Ethyl 5-phenyl-1,2,3-triazolidine-4-carboxylate
CAS No.:10042-47-4
Molecular Formula:C11H15N3O2
Molecular Weight:217.227
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80702358
Wikidata:Q82634250
Mol file:10042-47-4.mol

Synonyms:DTXSID80702358;Ethyl 5-phenyl-1,2,3-triazolidine-4-carboxylate

Suppliers and Price of Ethyl 5-phenyl-1,2,3-triazolidine-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 5-phenyl-1,2,3-triazolidine-4-carboxylate

Chemical Property:

PSA：62.39000
LogP:1.25820
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:221.116426730
Heavy Atom Count:16
Complexity:241

Purity/Quality:: 98%,99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1C(NNN1)C2=CC=CC=C2

Technology Process of Ethyl 5-phenyl-1,2,3-triazolidine-4-carboxylate

There total 4 articles about Ethyl 5-phenyl-1,2,3-triazolidine-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: 80.0%

: 2216-94-6
phenylpropynoic acid ethyl ester

: 10042-47-4
ethyl 5-phenyl-1H-1,2,3-triazole-4-carboxylate

Guidance literature:: With sodium azide; In dimethyl sulfoxide; at 80 ℃; for 8.33333h; Inert atmosphere;
DOI:10.24820/ark.5550190.p010.320

Reference yield: 60.0%

: 81581-07-9
ethyl 1-(4-methoxybenzyl)-5-phenyl-v-triazole-4-carboxylate

: 10042-47-4
ethyl 5-phenyl-1H-1,2,3-triazole-4-carboxylate

Guidance literature:: With trifluoroacetic acid; at 65 ℃; for 3.5h;

Reference yield:

: 536-74-3
phenylacetylene

: 10042-47-4
ethyl 5-phenyl-1H-1,2,3-triazole-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-butyllithium / hexane; tetrahydrofuran / 1 h / -78 °C / Inert atmosphere

1.2: 2.5 h / -78 °C / Inert atmosphere

2.1: sodium azide / dimethyl sulfoxide / 8.33 h / 80 °C / Inert atmosphere

With n-butyllithium; sodium azide; In tetrahydrofuran; hexane; dimethyl sulfoxide;
DOI:10.24820/ark.5550190.p010.320