4-(Chloromethyl)-2-(3-fluorophenyl)-5-methyl-1,3-oxazole

Base Information

• Chemical Name: 4-(Chloromethyl)-2-(3-fluorophenyl)-5-methyl-1,3-oxazole
• CAS No.: 884504-76-1
• Molecular Formula: C₁₁H₉ClFNO
• Molecular Weight: 225.65
• DSSTox Substance ID: DTXSID801221859
• Mol file: 884504-76-1.mol

Synonyms:884504-76-1;4-(chloromethyl)-2-(3-fluorophenyl)-5-methyl-1,3-oxazole;4-(CHLOROMETHYL)-2-(3-FLUOROPHENYL)-5-METHYLOXAZOLE;SCHEMBL12163868;DTXSID801221859;MFCD05864509;AKOS015920786;BB 0257215;4-Chloromethyl-2-(3-fluorophenyl)-5-methyloxazole

Chemical Property of 4-(Chloromethyl)-2-(3-fluorophenyl)-5-methyl-1,3-oxazole

Chemical Property:

• 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: 217

Purity/Quality:

99% ^*data from raw suppliers

4-(Chloromethyl)-2-(3-fluorophenyl)-5-methyloxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-(Chloromethyl)-2-(3-fluorophenyl)-5-methyl-1,3-oxazole

There total 4 articles about 4-(Chloromethyl)-2-(3-fluorophenyl)-5-methyl-1,3-oxazole 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: 14.0%

2-(3-fluorophenyl)-4,5-dimethyl-oxazole 3-oxide (932779-61-8) → 4-(chloromethyl)-2-(3-fluorophenyl)-5-methyl-1,3-oxazole (884504-76-1)

Guidance literature:

With trichlorophosphate; In acetonitrile; at 0 - 20 ℃;

DOI:10.1248/cpb.c13-00513

Reference yield:

3-Fluorobenzaldehyde (456-48-4) → 4-(chloromethyl)-2-(3-fluorophenyl)-5-methyl-1,3-oxazole (884504-76-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride / ethyl acetate / 0 - 20 °C

2: trichlorophosphate / acetonitrile / 0 - 20 °C

With hydrogenchloride; trichlorophosphate; In ethyl acetate; acetonitrile;

DOI:10.1248/cpb.c13-00513

Reference yield:

4,5-dimethyl-2-(3-fluorophenyl)oxazol 3-oxide hydrochloride (932727-10-1) → 4-(chloromethyl)-2-(3-fluorophenyl)-5-methyl-1,3-oxazole (884504-76-1)

Guidance literature:

With trichlorophosphate;

upstream raw materials:

4,5-dimethyl-2-(3-fluorophenyl)oxazol 3-oxide hydrochloride

2-(3-fluorophenyl)-4,5-dimethyl-oxazole 3-oxide

3-Fluorobenzaldehyde

Downstream raw materials:

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

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

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