4-(4-Fluorophenyl)thiazol-2-ol

Base Information

• Chemical Name: 4-(4-Fluorophenyl)thiazol-2-ol
• CAS No.: 834885-06-2
• Molecular Formula: C9H6FNOS
• Molecular Weight: 195.217
• Hs Code.: 2934100090
• European Community (EC) Number: 658-708-6
• DSSTox Substance ID: DTXSID40655811
• Wikidata: Q82570102
• Mol file: 834885-06-2.mol

Synonyms:4-(4-Fluorophenyl)thiazol-2-ol;834885-06-2;4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-2-one;4-(4-fluorophenyl)-3H-1,3-thiazol-2-one;SCHEMBL3173201;SCHEMBL16414695;DTXSID40655811;VDFFNDUNESKYCU-UHFFFAOYSA-N;4-(4-Fluoro-phenyl)-thiazol-2-ol;AKOS009428704;AKOS015856461;CS-0252132;FT-0760857;EN300-59080;4-(4-Fluorophenyl)-1,3-thiazol-2(3H)-one;4-(4-FLUOROPHENYL)-1,3-THIAZOL-2-OL;Z409413418

Chemical Property of 4-(4-Fluorophenyl)thiazol-2-ol

Chemical Property:

• Vapor Pressure: 2.59E-06mmHg at 25°C
• Boiling Point: 379.9°C at 760 mmHg
• Flash Point: 183.6°C
• PSA: 61.36000
• Density: 1.393g/cm³
• LogP: 2.65480
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.01541315
• Heavy Atom Count: 13
• Complexity: 246

Purity/Quality:

99% ^*data from raw suppliers

4-(4-Fluorophenyl)thiazol-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CSC(=O)N2)F

Technology Process of 4-(4-Fluorophenyl)thiazol-2-ol

There total 2 articles about 4-(4-Fluorophenyl)thiazol-2-ol 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:

1-(4-fluorophenyl)-2-thiocyanatoethan-1-one (43045-16-5) → 4-(4-fluorophenyl)thiazol-2-ol (834885-06-2)

Guidance literature:

With sulfuric acid; In ethanol; water; acetic acid; at 100 ℃; for 1h;

Reference yield:

1-ethynyl-4-fluorobenzene (766-98-3) → 4-(4-fluorophenyl)thiazol-2-ol (834885-06-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 9-(2-mesityl)-10-methylacridinium perchlorate / acetonitrile / 10 h / 20 °C / Irradiation

2: hydrogenchloride / water / 3 h / Reflux

With hydrogenchloride; 9-(2-mesityl)-10-methylacridinium perchlorate; In water; acetonitrile;

DOI:10.1039/C9OB00054B

Reference yield:

bromoacetic acid tert-butyl ester (5292-43-3) + 4-(4-fluorophenyl)thiazol-2-ol (834885-06-2) → [4-(4-fluoro-phenyl)-thiazol-2-yloxy]-acetic acid tert-butyl ester (1036227-29-8) + C15H16FNO3S

Guidance literature:

4-(4-fluorophenyl)thiazol-2-ol; With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

bromoacetic acid tert-butyl ester; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

upstream raw materials:

1-(4-fluorophenyl)-2-thiocyanatoethan-1-one

1-ethynyl-4-fluorobenzene

Downstream raw materials:

[4-(4-fluoro-phenyl)-thiazol-2-yloxy]-acetic acid tert-butyl ester