2-Propenoic acid, 3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, methyl ester, (Z)-

Base Information

Chemical Name:2-Propenoic acid, 3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, methyl ester, (Z)-
CAS No.:73396-60-8
Molecular Formula:C₁₂H₁₂N₄O₂S
Molecular Weight:276.319
Hs Code.:
DSSTox Substance ID:DTXSID301125119

Synonyms:DTXSID301125119;2-Propenoic acid, 3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, methyl ester, (Z)-;73396-60-8

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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 2-Propenoic acid, 3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, methyl ester, (Z)-

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:276.06809681
Heavy Atom Count:19
Complexity:334

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C=CSC1=NN=C(N1N)C2=CC=CC=C2
Isomeric SMILES:COC(=O)/C=C\SC1=NN=C(N1N)C2=CC=CC=C2

Technology Process of 2-Propenoic acid, 3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, methyl ester, (Z)-

There total 1 articles about 2-Propenoic acid, 3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, methyl ester, (Z)- 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: 79.0%

: 922-67-8
propynoic acid methyl ester

: 22706-11-2
3-phenyl-4-amino-5-mercapto-1,2,4-triazole

: 73396-60-8,126335-04-4
3-<(4-Amino-5-phenyl-1,2,4-triazol-3-yl)thio>acrylate methyl ester

Guidance literature:: In methanol; at 65 ℃; for 5h;
DOI:10.1007/BF00764620

Reference yield: 89.0%

: 73396-60-8,126335-04-4
3-<(4-Amino-5-phenyl-1,2,4-triazol-3-yl)thio>acrylate methyl ester

: 73396-63-1
3-<(4-Amino-5-phenyl-1,2,4-triazol-3-yl)thio>acrylic acid

Guidance literature:: With potassium hydroxide; In water; for 0.25h; Heating;
DOI:10.1021/jo01300a043

Reference yield:

: 73396-60-8,126335-04-4
3-<(4-Amino-5-phenyl-1,2,4-triazol-3-yl)thio>acrylate methyl ester

: 73396-66-4
2-Phenyl-7H-<1,2,4>triazolo<5,1-b><1,3>thiazin-7-one

Guidance literature:: Multi-step reaction with 3 steps

1: 89 percent / KOH / H₂O / 0.25 h / Heating

2: 98 percent / SOCl₂ / CHCl₃ / 24 h / Heating

3: 54 percent / 175 °C / 0.1 Torr

With potassium hydroxide; thionyl chloride; In chloroform; water;
DOI:10.1021/jo01300a043