2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid

Base Information

• Chemical Name: 2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid
• CAS No.: 21256-15-5
• Molecular Formula: C₁₇H₁₃NO₂S
• Molecular Weight: 295.362
• Hs Code.: 2934100090
• UNII: J2X5TF29TZ
• DSSTox Substance ID: DTXSID40377203
• Wikidata: Q82166327
• ChEMBL ID: CHEMBL592001
• Mol file: 21256-15-5.mol

Synonyms:2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid;21256-15-5;2-(2,4-diphenylthiazol-5-yl)acetic acid;CHEMBL592001;SMR000168586;Bionet2_000936;D0E3WT;J2X5TF29TZ;Oprea1_148343;MLS000327963;SCHEMBL4497493;DTXSID40377203;HMS1366K12;HMS2377A22;WAA25615;2,4-Diphenyl-5-thiazoleacetic acid;BDBM50309445;MFCD00663973;AKOS005070458;4K-539S;5-Thiazoleacetic acid, 2,4-diphenyl-;2-(2,4-diphenylthiazol-5-yl)aceticacid;AM803507;PD179707;CS-0039039;FT-0680367;2-(2,4-Diphenyl-1,3-thiazol-5-yl)ethanoic acid;A879183;J-505484;2-(2,4-DIPHENYL-1,3-THIAZOL-5-YL)ACETICACID;2-(2,4-diphenyl-1,3-thiazol-5-yl)acetic acid, AldrichCPR

Chemical Property of 2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid

Chemical Property:

• Vapor Pressure: 2.64E-12mmHg at 25°C
• Melting Point: 153-155oC
• Boiling Point: 535.7oC at 760 mmHg
• Flash Point: 277.8oC
• PSA: 78.43000
• Density: 1.283g/cm3
• LogP: 4.10420
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 295.06669983
• Heavy Atom Count: 21
• Complexity: 351

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2,4-Diphenyl-1,3-thiazol-5-yl)acetic acid

There total 4 articles about 2-(2,4-Diphenyl-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:

(2,4-diphenyl-thiazol-5-yl)-acetic acid ethyl ester (23821-55-8) → 2,4-diphenylthiazole-5-acetic acid (21256-15-5)

Guidance literature:

With potassium hydroxide; In ethanol; Ambient temperature;

DOI:10.1021/jm00257a010

Reference yield:

3-bromo-4-oxo-4-phenylbutanoic acid (53515-22-3) → 2,4-diphenylthiazole-5-acetic acid (21256-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Heating

2: aq. KOH / ethanol / Ambient temperature

With potassium hydroxide; In ethanol;

DOI:10.1021/jm00257a010

Reference yield:

benzenecarbothioamide (2227-79-4) → 2,4-diphenylthiazole-5-acetic acid (21256-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1: Heating

2: aq. KOH / ethanol / Ambient temperature

With potassium hydroxide; In ethanol;

DOI:10.1021/jm00257a010

upstream raw materials:

(2,4-diphenyl-thiazol-5-yl)-acetic acid ethyl ester

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

benzenecarbothioamide

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