4-(Chloromethyl)-2-(4-fluorophenyl)-5-methyloxazole

Base Information

• Chemical Name: 4-(Chloromethyl)-2-(4-fluorophenyl)-5-methyloxazole
• CAS No.: 625826-69-9
• Molecular Formula: C11H9ClFNO
• Molecular Weight: 225.65
• European Community (EC) Number: 800-823-2
• DSSTox Substance ID: DTXSID00442461
• Nikkaji Number: J2.110.276H
• Wikidata: Q82259749
• Mol file: 625826-69-9.mol

Synonyms:625826-69-9;4-(CHLOROMETHYL)-2-(4-FLUOROPHENYL)-5-METHYLOXAZOLE;4-CHLOROMETHYL-2-(4-FLUORO-PHENYL)-5-METHYL-OXAZOLE;4-(chloromethyl)-2-(4-fluorophenyl)-5-methyl-1,3-oxazole;4-chloromethyl-2-(4-fluorophenyl)-5-methyl-oxazole;Oxazole, 4-(chloromethyl)-2-(4-fluorophenyl)-5-methyl-;SCHEMBL1931219;DTXSID00442461;AHJILHLRJFFFGV-UHFFFAOYSA-N;AMY15237;MFCD05864510;AKOS015891565;AB22785;AS-40768;BB 0257214;CS-0251596;FT-0647219;EN300-5530374;A833859;5-methyl-2-(4-fluoro-phenyl)-4-Chloromethyloxazole;2-(4-Fluorophenyl)-4-(chloromethyl)-5-methyloxazole

Chemical Property of 4-(Chloromethyl)-2-(4-fluorophenyl)-5-methyloxazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 334.587°C at 760 mmHg
• Flash Point: 156.153°C
• PSA: 26.03000
• Density: 1.261g/cm³
• LogP: 3.52790
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 225.0356698
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

97% ^*data from raw suppliers

4-Chloromethyl-2-(4-fluoro-phenyl)-5-methyl-oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N=C(O1)C2=CC=C(C=C2)F)CCl

Technology Process of 4-(Chloromethyl)-2-(4-fluorophenyl)-5-methyloxazole

There total 4 articles about 4-(Chloromethyl)-2-(4-fluorophenyl)-5-methyloxazole 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: 83.0%

4,5-dimethyl-2-(4-fluorophenyl)-oxazole 3-oxide hydrochloride → 4-(chloromethyl)-2-(4-fluorophenyl)-5-methyl-1,3-oxazole (625826-69-9)

Guidance literature:

With trichlorophosphate; In acetonitrile; at 22 - 28 ℃; for 16h;

DOI:10.1002/adsc.200404135

Reference yield: 69.0%

2-(4-fluorophenyl)-4,5-dimethyloxazole 3-oxide (109544-28-7) → 4-(chloromethyl)-2-(4-fluorophenyl)-5-methyl-1,3-oxazole (625826-69-9)

Guidance literature:

With trichlorophosphate; In 1,2-dichloro-ethane; for 0.5h; Reflux;

DOI:10.1021/acs.jmedchem.7b00561

Reference yield:

4-fluorobenzaldehyde (459-57-4) → 4-(chloromethyl)-2-(4-fluorophenyl)-5-methyl-1,3-oxazole (625826-69-9)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl; AcOH / 0 °C

2: POCl₃ / CHCl₃ / Heating

With hydrogenchloride; acetic acid; trichlorophosphate; In chloroform;

DOI:10.1016/j.bmcl.2006.05.007

upstream raw materials:

2-(4-fluorophenyl)-4,5-dimethyloxazole 3-oxide

4-fluorobenzaldehyde

Downstream raw materials:

tert-butyl 2-(4-{[{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl] methyl}(furan-2-ylmethyl) amino] methyl}-2,6-dimethylphenoxy)-2-methylpropanoate

2-(4-{[{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-methyl}(furan-2-ylmethyl) amino] methyl}-2,6-dimethylphenoxy)-2-methylpropanoic acid

2-Amino-6-{[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile

2-Amino-6-({[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-4-(4-{[(2S)-2-hydroxypropyl]oxy}phenyl)pyridine-3,5-dicarbonitrile

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