2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Base Information

Chemical Name:2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
CAS No.:796067-59-9
Molecular Formula:C₁₂H₁₃N₃O₂S
Molecular Weight:263.32
Hs Code.:
European Community (EC) Number:842-672-5

Synonyms:796067-59-9;2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic Acid;{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid;AKOS000349575;CS-0223618;EN300-11603;Z57052879;2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}aceticacid

Suppliers and Price of 2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic 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 2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:263.07284784
Heavy Atom Count:18
Complexity:295

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)C

Technology Process of 2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

There total 2 articles about 2-{[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic 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:

: 152473-68-2
1-acetyl-4-(4-methylphenyl)thiosemicarbazide

: 796067-59-9
(5-methyl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / aq. sodium hydroxide / 5 h / Heating

2: 75 percent / triethylamine / CH₂Cl₂ / 5 h / 25 °C

With sodium hydroxide; triethylamine; In dichloromethane;
DOI:10.1016/j.bmcl.2006.05.096

Reference yield:

: 13278-67-6
4-(4-methylphenyl)-3-thiosemicarbazide

: 796067-59-9
(5-methyl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / pyridine / CHCl₃ / 3 h / 0 - 25 °C

2: 80 percent / aq. sodium hydroxide / 5 h / Heating

3: 75 percent / triethylamine / CH₂Cl₂ / 5 h / 25 °C

With pyridine; sodium hydroxide; triethylamine; In dichloromethane; chloroform;
DOI:10.1016/j.bmcl.2006.05.096

Reference yield:

: 796067-59-9
(5-methyl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid

: 504-29-0
2-aminopyridine

: 2-(5-methyl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-pyridin-2-yl-acetamide

Guidance literature:: With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In dichloromethane; at 25 ℃; for 1h;
DOI:10.1016/j.bmcl.2006.05.096