5-[(4-Methoxyphenyl)sulfanyl]-2H-1,2,3-triazole-4-carboxylic acid

Base Information

Chemical Name:5-[(4-Methoxyphenyl)sulfanyl]-2H-1,2,3-triazole-4-carboxylic acid
CAS No.:81581-13-7
Molecular Formula:C₁₀H₉N₃O₃S
Molecular Weight:251.266
Hs Code.:
DSSTox Substance ID:DTXSID20513440
Wikidata:Q82373264

Synonyms:81581-13-7;SCHEMBL21296943;DTXSID20513440;5-[(4-Methoxyphenyl)sulfanyl]-2H-1,2,3-triazole-4-carboxylic acid

Suppliers and Price of 5-[(4-Methoxyphenyl)sulfanyl]-2H-1,2,3-triazole-4-carboxylic acid

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 2 raw suppliers

Chemical Property of 5-[(4-Methoxyphenyl)sulfanyl]-2H-1,2,3-triazole-4-carboxylic acid

Chemical Property:

XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:251.03646233
Heavy Atom Count:17
Complexity:272

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)SC2=NNN=C2C(=O)O

Technology Process of 5-[(4-Methoxyphenyl)sulfanyl]-2H-1,2,3-triazole-4-carboxylic acid

There total 4 articles about 5-[(4-Methoxyphenyl)sulfanyl]-2H-1,2,3-triazole-4-carboxylic acid 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: 90.0%

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

: 81581-13-7
5-<(4-methoxyphenyl)thio>-1H-1,2,3-triazole-4-carboxylic acid

Guidance literature:: With Alkaline;

Reference yield:

: 696-63-9
4-Methoxybenzenethiol

: 81581-13-7
5-<(4-methoxyphenyl)thio>-1H-1,2,3-triazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

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

2: 99 percent / trifluoroacetic acid / 2.5 h / 65 °C

3: 90 percent / aq. alkaline

With Alkaline; sodium hydride; trifluoroacetic acid;

Reference yield:

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

: 81581-13-7
5-<(4-methoxyphenyl)thio>-1H-1,2,3-triazole-4-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 99 percent / trifluoroacetic acid / 2.5 h / 65 °C

2: 90 percent / aq. alkaline

With Alkaline; trifluoroacetic acid;