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

Base Information

Chemical Name:2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
CAS No.:110767-58-3
Molecular Formula:C13H16 N4 O5 S
Molecular Weight:340.36
Hs Code.:
UNII:2HU30J169F
Nikkaji Number:J466.664J
Wikidata:Q27254762

Synonyms:2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid;110767-58-3;2HU30J169F;ACETIC ACID, ((4-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-;UNII-2HU30J169F;BRN 5358360;3-(3,4,5-Trimetossifenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo;AKOS002188680;((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid;3-(3,4,5-Trimetossifenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo [Italian];Q27254762;ACETIC ACID, 2-((4-AMINO-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-

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

Supply Marketing:

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

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Chemical Property of 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:340.08414080
Heavy Atom Count:23
Complexity:391

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2N)SCC(=O)O

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

There total 7 articles about 2-((4-Amino-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)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: 71.0%

: 150535-96-9
[4-Amino-5-(3,4,5-trimethoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid methyl ester

: 110767-58-3
3-(3,4,5-trimetossifenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo

Guidance literature:: With sodium hydroxide; for 4h; Heating;
DOI:10.1002/jhet.5570290512

Reference yield: 70.0%

: 79-11-8
chloroacetic acid

: 31821-78-0
3-(3,4,5-trimetossifenil)-4-ammino-5-mercapto-4H-1,2,4-triazolo

: 110767-58-3
3-(3,4,5-trimetossifenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo

Guidance literature:: With sodium hydroxide; sodium hydrogencarbonate; In water; for 2h; Heating;

Reference yield:

: 6178-44-5
ethyl 3,4,5-trimethoxybenzoate

: 110767-58-3
3-(3,4,5-trimetossifenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo

Guidance literature:: Multi-step reaction with 5 steps

1: 89 percent / hydrazine hydrate / ethanol / 6 h / Heating

2: potassium hydroxide / ethanol / 3 h / 25 °C

3: hydrazine hydrate / H₂O / 1 h / Heating

4: 71 percent / potassium carbonate / acetone / 10 h / Heating

5: 71 percent / aq. sodium hydroxide / 4 h / Heating

With potassium hydroxide; sodium hydroxide; potassium carbonate; hydrazine hydrate; In ethanol; water; acetone;
DOI:10.1002/jhet.5570290512