2-(2-Phenylthiazol-4-yl)benzoic acid

Base Information

• Chemical Name: 2-(2-Phenylthiazol-4-yl)benzoic acid
• CAS No.: 60510-56-7
• Molecular Formula: C₁₆H₁₁NO₂S
• Molecular Weight: 281.335
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID60377604
• Wikidata: Q82166875
• ChEMBL ID: CHEMBL1422242
• Mol file: 60510-56-7.mol

Synonyms:60510-56-7;2-(2-Phenylthiazol-4-yl)benzoic acid;2-(2-phenyl-1,3-thiazol-4-yl)benzoic Acid;2-(2-Phenyl-1,3-thiazol-4-yl)benzene-carboxylic acid;2-(2-phenyl-1,3-thiazol-4-yl)benzenecarboxylic acid;Benzoic acid,2-(2-phenyl-4-thiazolyl)-;Oprea1_521959;MLS000755386;SCHEMBL2800244;CHEMBL1422242;DTXSID60377604;KJTDLBFUDMTJMD-UHFFFAOYSA-N;HMS2592G23;MFCD00141945;2-(2-Phenylthiazol-4-yl)benzoicacid;AKOS005069460;SMR000337786;CS-0364347;FT-0680001;11F-915;J-505697;2-(2-PHENYL-1,3-THIAZOL-4-YL)BENZENECARBOXYLICACID

Chemical Property of 2-(2-Phenylthiazol-4-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 3.49E-10mmHg at 25°C
• Melting Point: 162-164 °C
• Refractive Index: 1.653
• Boiling Point: 484.1 °C at 760 mmHg
• Flash Point: 246.6 °C
• PSA: 78.43000
• Density: 1.307 g/cm³
• LogP: 4.17530
• Storage Temp.: 2-8°C
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 281.05104977
• Heavy Atom Count: 20
• Complexity: 343

Purity/Quality:

98%Min ^*data from raw suppliers

2-(2-Phenyl-1,3-thiazol-4-yl)benzene-carboxylic 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=NC(=CS2)C3=CC=CC=C3C(=O)O

Technology Process of 2-(2-Phenylthiazol-4-yl)benzoic acid

There total 4 articles about 2-(2-Phenylthiazol-4-yl)benzoic 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:

2-(2-phenyl-thiazol-4-yl)-benzoic acid ethyl ester (65349-17-9) → 2-(2-phenyl-thiazol-4-yl)-benzoic acid (60510-56-7)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

DOI:10.1071/CH9772225

Reference yield:

2-acetyl-benzoic acid (577-56-0) → 2-(2-phenyl-thiazol-4-yl)-benzoic acid (60510-56-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Br₂, benzene, (ii) /BRN= 606021/, /BRN= 1718733/

2: NaOH / ethanol / 1 h / Heating

With sodium hydroxide; In ethanol;

DOI:10.1071/CH9772225

Reference yield:

benzenecarbothioamide (2227-79-4) → 2-(2-phenyl-thiazol-4-yl)-benzoic acid (60510-56-7)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) Br₂, benzene, (ii) /BRN= 606021/, /BRN= 1718733/

2: NaOH / ethanol / 1 h / Heating

With sodium hydroxide; In ethanol;

DOI:10.1071/CH9772225

upstream raw materials:

2-(2-phenyl-thiazol-4-yl)-benzoic acid ethyl ester

2-acetyl-benzoic acid

benzenecarbothioamide

Downstream raw materials:

[2-(2-phenyl-thiazol-4-yl)-phenyl]-methanol

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-phenylthiazol-4-yl)benzamide

5-acetyl-3-phenyl-5H-thiazolo[4,3-a]isoindolylium; bromide

3-phenyl-5H-thiazolo<4,3-a>isoindolium bromide

Refernces