4-(4-Fluorophenyl)-2-methylthiazole

Base Information

• Chemical Name: 4-(4-Fluorophenyl)-2-methylthiazole
• CAS No.: 450-29-3
• Molecular Formula: C10H8 F N S
• Molecular Weight: 193.245
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID90352666
• Nikkaji Number: J2.748.191D
• Wikidata: Q82129924
• Mol file: 450-29-3.mol

Synonyms:4-(4-Fluorophenyl)-2-methylthiazole;450-29-3;4-(4-fluorophenyl)-2-methyl-1,3-thiazole;4-(4-fluoro-phenyl)-2-methyl-thiazole;Thiazole, 4-(4-fluorophenyl)-2-methyl-;SCHEMBL1764515;DTXSID90352666;BVTLCUSPIGZVKE-UHFFFAOYSA-N;BBL020195;MFCD00518914;STK887569;AKOS000115153;AS-17988;EN300-01459;A872435;J-513512;Z48850660

Chemical Property of 4-(4-Fluorophenyl)-2-methylthiazole

Chemical Property:

• Vapor Pressure: 0.00319mmHg at 25°C
• Melting Point: 184-185 °C
• Boiling Point: 292.5°Cat760mmHg
• PKA: 2.67±0.10(Predicted)
• Flash Point: 130.7°C
• PSA: 41.13000
• Density: 1.223g/cm³
• LogP: 3.25760
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 193.03614860
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)F

Technology Process of 4-(4-Fluorophenyl)-2-methylthiazole

There total 4 articles about 4-(4-Fluorophenyl)-2-methylthiazole 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: 93.0%

thioacetamide (62-55-5) + 2-bromo-4'-fluoroacetophenone (403-29-2) → 4-(4-fluorophenyl)-2-methylthiazole (450-29-3)

Guidance literature:

With tert-butylammonium hexafluorophosphate(V); In methanol; at 20 ℃; for 0.233333h;

DOI:10.3987/COM-10-12067

Reference yield: 65.0%

1-(4-fluorophenyl)ethanone oxime (329-79-3) + acetic anhydride (108-24-7) → 4-(4-fluorophenyl)-2-methylthiazole (450-29-3)

Guidance literature:

With copper(l) iodide; potassium thioacyanate; In toluene; at 120 ℃; for 24h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.6b02124

Reference yield:

thioacetamide (62-55-5) + 2-Chloro-4'-fluoroacetophenone (456-04-2) → 4-(4-fluorophenyl)-2-methylthiazole (450-29-3)

Guidance literature:

DOI:10.1021/ja01312a501

upstream raw materials:

thioacetamide

2-Chloro-4'-fluoroacetophenone

2-bromo-4'-fluoroacetophenone

1-(4-fluorophenyl)ethanone oxime

Refernces

• 1、 Kocabas, Erdal,Sariguney, Ahmet Burak,Coskun, Ahmet. "A rapid and high-yielding synthesis of thiazoles and aminothiazoles using tetrabutylammonium salts". experimental part. p. 2849 - 2854. Retrieved 2011/04/16.
• 2、 Joshi,Pathak,Arya. "Synthesis of some new fluorine containing 2-(N-arylamino)/2-methyl-4-aryl thiazoles and their bactericidal activity". . p. 199 - 201. Retrieved 2007/10/04.