6-((4-Chlorophenyl)methylene)-3-phenylthiazolo(2,3-c)-1,2,4-triazol-5(6H)-one

Base Information

• Chemical Name: 6-((4-Chlorophenyl)methylene)-3-phenylthiazolo(2,3-c)-1,2,4-triazol-5(6H)-one
• CAS No.: 95356-83-5
• Molecular Formula: C₁₇H₁₀ClN₃OS
• Molecular Weight: 339.805
• Wikidata: Q76144365
• Mol file: 95356-83-5.mol

Synonyms:BRN 5599034;6-((4-Chlorophenyl)methylene)-3-phenylthiazolo(2,3-c)-1,2,4-triazol-5(6H)-one;Thiazolo(2,3-c)-1,2,4-triazol-5(6H)-one, 6-((4-chlorophenyl)methylene)-3-phenyl-;C17H10ClN3OS;95356-83-5;C17-H10-Cl-N3-O-S;LS-152232

Chemical Property of 6-((4-Chlorophenyl)methylene)-3-phenylthiazolo(2,3-c)-1,2,4-triazol-5(6H)-one

Chemical Property:

• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 339.0233108
• Heavy Atom Count: 23
• Complexity: 486

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)Cl)S3
• Isomeric SMILES: C1=CC=C(C=C1)C2=NN=C3N2C(=O)/C(=C\C4=CC=C(C=C4)Cl)/S3

Technology Process of 6-((4-Chlorophenyl)methylene)-3-phenylthiazolo(2,3-c)-1,2,4-triazol-5(6H)-one

There total 1 articles about 6-((4-Chlorophenyl)methylene)-3-phenylthiazolo(2,3-c)-1,2,4-triazol-5(6H)-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: 83.0%

4-chlorobenzaldehyde (104-88-1) + 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid (58755-01-4) → 6-[1-(4-Chloro-phenyl)-meth-(Z)-ylidene]-3-phenyl-thiazolo[2,3-c][1,2,4]triazol-5-one (95356-83-5)

Guidance literature:

With acetic anhydride; In acetic acid; for 2h; Heating;

DOI:10.1007/BF00779899

upstream raw materials:

4-chlorobenzaldehyde

2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid