(4-Methyl-2-phenyl-1,3-thiazol-5-YL)acetic acid

Base Information

• Chemical Name: (4-Methyl-2-phenyl-1,3-thiazol-5-YL)acetic acid
• CAS No.: 34272-67-8
• Molecular Formula: C12H11NO2S
• Molecular Weight: 233.2862
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID90187839
• Nikkaji Number: J59.594B
• Wikidata: Q72495404
• Mol file: 34272-67-8.mol

Synonyms:(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)ACETIC ACID;34272-67-8;2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)acetic acid;5-Thiazoleacetic acid, 4-methyl-2-phenyl-;4-Methyl-2-phenyl-5-thiazoleacetic acid;BRN 0178498;Oprea1_449956;SCHEMBL20397388;DTXSID90187839;STL227864;AKOS002664985;LS-150761;EN300-236129;F2185-0002

Chemical Property of (4-Methyl-2-phenyl-1,3-thiazol-5-YL)acetic acid

Chemical Property:

• Vapor Pressure: 2.43E-08mmHg at 25°C
• Boiling Point: 435.1°Cat760mmHg
• Flash Point: 216.9°C
• PSA: 78.43000
• Density: 1.287g/cm³
• LogP: 2.74560
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 233.05104977
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

NLT 98% ^*data from raw suppliers

(4-Methyl-2-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: CC1=C(SC(=N1)C2=CC=CC=C2)CC(=O)O

Technology Process of (4-Methyl-2-phenyl-1,3-thiazol-5-YL)acetic acid

There total 3 articles about (4-Methyl-2-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:

ethyl 3-bromo-4-oxopentanoate (54260-84-3) → (4-methyl-2-phenyl-thiazol-5-yl)-acetic acid (34272-67-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

With ethanol;

DOI:10.1021/jo01166a021

Reference yield:

benzenecarbothioamide (2227-79-4) → (4-methyl-2-phenyl-thiazol-5-yl)-acetic acid (34272-67-8)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

With ethanol;

DOI:10.1021/jo01166a021

Reference yield:

(4-Methyl-2-phenyl-5-thiazolyl)essigsaeure-ethylester (111559-41-2) → (4-methyl-2-phenyl-thiazol-5-yl)-acetic acid (34272-67-8)

Guidance literature:

DOI:10.1021/jo01166a021

upstream raw materials:

(4-Methyl-2-phenyl-5-thiazolyl)essigsaeure-ethylester

ethyl 3-bromo-4-oxopentanoate

benzenecarbothioamide