Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-

Base Information

Chemical Name:Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-
CAS No.:77803-55-5
Molecular Formula:C13H15 N3 O5 S
Molecular Weight:325.345
Hs Code.:
DSSTox Substance ID:DTXSID00228429
Wikidata:Q83108422
ChEMBL ID:CHEMBL3717146

Synonyms:BRN 5352207;Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-;5-(3,4,5-Trimetossifenil)-3-carbossimetiltio-4H-1,2,4-triazolo [Italian];77803-55-5;5-(3,4,5-Trimetossifenil)-3-carbossimetiltio-4H-1,2,4-triazolo;CHEMBL3717146;SCHEMBL14907788;DTXSID00228429

Suppliers and Price of Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-

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 Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-

Chemical Property:

Vapor Pressure:1.86E-14mmHg at 25°C
Boiling Point:583.5°Cat760mmHg
Flash Point:306.7°C
Density:1.46g/cm³
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:325.07324176
Heavy Atom Count:22
Complexity:362

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C2=NC(=NN2)SCC(=O)O

Technology Process of Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-

There total 4 articles about Acetic acid, ((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)- 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: 85.0%

: 79-11-8
chloroacetic acid

: 14803-86-2
3-(3,4,5-trimethoxyphenyl)-4H-5-mercapto-1,2,4-triazole

: 77803-55-5
2-((5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)mercapto)acetic acid

Guidance literature:: With sodium hydroxide; sodium hydrogencarbonate; Heating;

Reference yield: 74.8%

: 77803-73-7
ethyl 2-((5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate

: 77803-55-5
2-((5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)mercapto)acetic acid

Guidance literature:: With sodium hydroxide; In water; for 3h; Reflux;

Reference yield:

: 7658-75-5
1-(3,4,5-trimethoxybenzoyl)thiosemicarbazide

: 77803-55-5
2-((5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)mercapto)acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / 5percent NaOH / H₂O / 4 h / Heating

2: 75 percent / 1/10 N NaOH / H₂O / 2 h / Heating

With sodium hydroxide; In water;