2-(2,4-Difluorophenyl)thiazole-4-carboxylic acid

Base Information

• Chemical Name: 2-(2,4-Difluorophenyl)thiazole-4-carboxylic acid
• CAS No.: 262589-15-1
• Molecular Formula: C10H5F2NO2S
• Molecular Weight: 241.218
• DSSTox Substance ID: DTXSID50593013
• Wikidata: Q82487387
• Mol file: 262589-15-1.mol

Synonyms:2-(2,4-Difluorophenyl)thiazole-4-carboxylic acid;262589-15-1;2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxylic acid;2-(2,4-Difluorophenyl)thiazole-4-carboxylicacid;SCHEMBL3542428;DTXSID50593013;OBLNKILQDNAOEV-UHFFFAOYSA-N;AKOS012091947;DS-3557;CS-0358498;A877290;2-(2,4-Difluoro-phenyl)-thiazole-4-carboxylic acid

Chemical Property of 2-(2,4-Difluorophenyl)thiazole-4-carboxylic acid

Chemical Property:

• PSA: 78.43000
• LogP: 2.78650
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 241.00090590
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

97% ^*data from raw suppliers

2-(2,4-Difluorophenyl)thiazole-4-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=C1F)F)C2=NC(=CS2)C(=O)O

Technology Process of 2-(2,4-Difluorophenyl)thiazole-4-carboxylic acid

There total 3 articles about 2-(2,4-Difluorophenyl)thiazole-4-carboxylic 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: 63.0%

ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate (175276-93-4) → 2-(2,4-difluorophenyl)thiazole-4-carboxylic acid (262589-15-1)

Guidance literature:

ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate; With lithium hydroxide; water; In tetrahydrofuran; at 80 ℃; for 2h;

With citric acid; In water; ethyl acetate;

for 18h; pH=4; Phthalate buffer;

Reference yield:

2,4-difluorobenzamide (85118-02-1) → 2-(2,4-difluorophenyl)thiazole-4-carboxylic acid (262589-15-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: Lawessons reagent / 18 h / 20 °C

2.1: ethanol / 3 h / Heating / reflux

3.1: lithium hydroxide; water / tetrahydrofuran / 2 h / 80 °C

3.3: 18 h / pH 4 / Phthalate buffer

With Lawessons reagent; lithium hydroxide; water; In tetrahydrofuran; ethanol;

Reference yield:

2,4-difluorobenzene-1-carbothioamide (175276-92-3) → 2-(2,4-difluorophenyl)thiazole-4-carboxylic acid (262589-15-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: ethanol / 3 h / Heating / reflux

2.1: lithium hydroxide; water / tetrahydrofuran / 2 h / 80 °C

2.3: 18 h / pH 4 / Phthalate buffer

With lithium hydroxide; water; In tetrahydrofuran; ethanol;

upstream raw materials:

ethyl 2-(2,4-difluorophenyl)thiazole-4-carboxylate

2,4-difluorobenzamide

2,4-difluorobenzene-1-carbothioamide

Downstream raw materials:

[2-(2,4-Difluoro-phenyl)-thiazol-4-yl]-carbamic acid tert-butyl ester

N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,4-difluorophenyl)thiazole-4-carboxamide

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