2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

Base Information

• Chemical Name: 2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
• CAS No.: 23821-72-9
• Molecular Formula: C₁₇H₁₂ClNO₂S
• Molecular Weight: 329.807
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID00377204
• Wikidata: Q82166328
• ChEMBL ID: CHEMBL596728
• Mol file: 23821-72-9.mol

Synonyms:23821-72-9;2-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid;2-(2-(4-chlorophenyl)-4-phenylthiazol-5-yl)acetic acid;CHEMBL596728;[2-(4-CHLORO-PHENYL)-4-PHENYL-THIAZOL-5-YL]-ACETIC ACID;2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-acetic acid;MLS000327973;Oprea1_399172;SCHEMBL1514667;DTXSID00377204;[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid;HMS2354H13;BDBM50309439;MFCD00663991;AKOS005070461;4K-623S;AB06673;NCGC00160399-02;SMR000168587;FT-0680368;J-505417;2-(2-(4-chlorophenyl)-4-phenylthiazol-5-yl)aceticacid;2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]aceticacid

Chemical Property of 2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

Chemical Property:

• Vapor Pressure: 4.02E-13mmHg at 25°C
• Melting Point: 163-165°C
• Boiling Point: 554.3°C at 760 mmHg
• Flash Point: 289°C
• PSA: 78.43000
• Density: 1.362g/cm³
• LogP: 4.75760
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 329.0277275
• Heavy Atom Count: 22
• Complexity: 381

Purity/Quality:

97% ^*data from raw suppliers

2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-acetic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)C3=CC=C(C=C3)Cl)CC(=O)O

Technology Process of 2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid

There total 2 articles about 2-[2-(4-Chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]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:

3-bromo-4-oxo-4-phenylbutanoic acid (53515-22-3) + 4-chlorothiobenzamide (2521-24-6) → [2-(4-chloro-phenyl)-4-phenyl-thiazol-5-yl]-acetic acid (23821-72-9)

Guidance literature:

With sodium carbonate; In isopropyl alcohol;

DOI:10.1021/jm00257a010

Reference yield:

→ [2-(4-chloro-phenyl)-4-phenyl-thiazol-5-yl]-acetic acid (23821-72-9)

Guidance literature:

upstream raw materials:

3-bromo-4-oxo-4-phenylbutanoic acid

4-chlorothiobenzamide

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