(5E)-5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Base Information

• Chemical Name: (5E)-5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
• CAS No.: 606952-36-7
• Molecular Formula: C₁₈H₁₃N₃OS
• Molecular Weight: 319.387
• European Community (EC) Number: 649-463-6

Synonyms:(5E)-5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one;606952-36-7;STK815112;AKOS002194108;5-Benzylidene-2-(p-tolyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Chemical Property of (5E)-5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 319.07793322
• Heavy Atom Count: 23
• Complexity: 481

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC=CC=C4)SC3=N2
• Isomeric SMILES: CC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC=CC=C4)/SC3=N2

Technology Process of (5E)-5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

There total 6 articles about (5E)-5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one 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: 78.0%

benzaldehyde (100-52-7) + 2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (132895-43-3) → 5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (606952-36-7)

Guidance literature:

With sodium acetate; In acetic anhydride; acetic acid; for 1.5h; Reflux;

DOI:10.1007/s11172-012-0299-8

Reference yield: 76.0%

5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (64310-34-5) + benzaldehyde (100-52-7) + bromoacetic acid (79-08-3) → 5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (606952-36-7)

Guidance literature:

With sodium acetate; In acetic anhydride; acetic acid; for 2.5h; Reflux;

DOI:10.1007/s11172-012-0299-8

Reference yield: 67.0%

5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (64310-34-5) + benzaldehyde (100-52-7) + chloroacetic acid (79-11-8) → 5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one (606952-36-7)

Guidance literature:

With sodium acetate; In acetic anhydride; acetic acid; for 3h; Reflux;

DOI:10.1007/s11172-012-0299-8

upstream raw materials:

4-methyl-benzoyl chloride

benzaldehyde

2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

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

Downstream raw materials:

(Z)-2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-3-phenyl-N-cyclohexylprop-2-enamide

2-(4-methylphenyl)-5-[morpholin-4-yl(phenyl)methyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

2-(4-methylphenyl)-5-[phenyl(piperidin-1-yl)methyl][1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

2-(4-methoxyphenyl)-4-{[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-5-phenylpyrazolidin-3-one

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