Ethyl 5-[(4-methoxyphenyl)thio]-1H-1,2,3-triazole-4-carboxylate

Base Information

Chemical Name:Ethyl 5-[(4-methoxyphenyl)thio]-1H-1,2,3-triazole-4-carboxylate
CAS No.:81581-12-6
Molecular Formula:C₁₂H₁₃N₃O₃S
Molecular Weight:279.32
Hs Code.:
DSSTox Substance ID:DTXSID301175007

Synonyms:81581-12-6;SCHEMBL21296967;BDBM560840;DTXSID301175007;Ethyl 5-[(4-methoxyphenyl)thio]-1H-1,2,3-triazole-4-carboxylate;US11389456, Ex. No. I-005;Ethyl 5-((4- methoxyphenyl)thio)- 1H-1,2,3-triazole-4- carboxylate

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

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Chemical Property of Ethyl 5-[(4-methoxyphenyl)thio]-1H-1,2,3-triazole-4-carboxylate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:279.06776246
Heavy Atom Count:19
Complexity:298

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1=NNN=C1SC2=CC=C(C=C2)OC

Technology Process of Ethyl 5-[(4-methoxyphenyl)thio]-1H-1,2,3-triazole-4-carboxylate

There total 6 articles about Ethyl 5-[(4-methoxyphenyl)thio]-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: 99.0%

: 81581-06-8
ethyl 1-(4-methoxybenzyl)-5-(4-methoxyphenylthio)-v-triazole-4-carboxylate

: 81581-12-6
ethyl 5-((4-methoxyphenyl)thio)-1H-1,2,3-triazole-4-carboxylate

Guidance literature:: With trifluoroacetic acid; at 65 ℃; for 2.5h;

Reference yield:

: 75020-41-6
5-Hydroxy-1-<(4-methoxyphenyl)methyl>-1H-1,2,3-triazole-4-carboxylic Acid Ethyl Ester

: 81581-12-6
ethyl 5-((4-methoxyphenyl)thio)-1H-1,2,3-triazole-4-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 65 percent / PCl₅ / toluene / 1.5 h / 40 °C

2: 1.) sodium hydride / 1.) mineral oil; 2.) DMF, 80 deg C, 18 h

3: 99 percent / trifluoroacetic acid / 2.5 h / 65 °C

With phosphorus pentachloride; sodium hydride; trifluoroacetic acid; In toluene;

Reference yield:

: 105-53-3
diethyl malonate

: 81581-12-6
ethyl 5-((4-methoxyphenyl)thio)-1H-1,2,3-triazole-4-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) sodium ethoxide / 1.) ethanol, 30 min; 2.) reflux, 18 h

2: 65 percent / PCl₅ / toluene / 1.5 h / 40 °C

3: 1.) sodium hydride / 1.) mineral oil; 2.) DMF, 80 deg C, 18 h

4: 99 percent / trifluoroacetic acid / 2.5 h / 65 °C

With phosphorus pentachloride; sodium ethanolate; sodium hydride; trifluoroacetic acid; In toluene;