4-Chloromethyl-2-(2-fluoro-phenyl)-5-methyl-oxazole

Base Information

• Chemical Name: 4-Chloromethyl-2-(2-fluoro-phenyl)-5-methyl-oxazole
• CAS No.: 671215-76-2
• Molecular Formula: C11H9ClFNO
• Molecular Weight: 225.65
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40403334
• Mol file: 671215-76-2.mol

Synonyms:671215-76-2;4-CHLOROMETHYL-2-(2-FLUORO-PHENYL)-5-METHYL-OXAZOLE;4-(chloromethyl)-2-(2-fluorophenyl)-5-methyloxazole;4-(chloromethyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole;4-Chloromethyl-2-(2-fluorophenyl)-5-methyl-oxazole;SCHEMBL4363143;DTXSID40403334;FPUOUVIUAUPHRS-UHFFFAOYSA-N;MFCD05864508;AKOS006340939;AB22784;BS-36507;FT-0730572;A835637;3-[BIS-(2-HYDROXY-ETHYL)-AMINO]-BENZOICACID;F9995-4175

Chemical Property of 4-Chloromethyl-2-(2-fluoro-phenyl)-5-methyl-oxazole

Chemical Property:

• Vapor Pressure: 0.000159mmHg at 25°C
• Refractive Index: 1.536
• Boiling Point: 341.4 °C at 760 mmHg
• Flash Point: 160.3 °C
• PSA: 26.03000
• Density: 1.261 g/cm³
• LogP: 3.52790
• 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:

98%min ^*data from raw suppliers

4-Chloromethyl-2-(2-fluorophenyl)-5-methyloxazole ^*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=CC=C2F)CCl

Technology Process of 4-Chloromethyl-2-(2-fluoro-phenyl)-5-methyl-oxazole

There total 4 articles about 4-Chloromethyl-2-(2-fluoro-phenyl)-5-methyl-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: 79.0%

2-(2-fluorophenyl)-4,5-dimethyloxazole 3-oxide (933236-25-0) → 4-(chloromethyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole (671215-76-2)

Guidance literature:

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

DOI:10.1248/cpb.c13-00513

Reference yield:

1-fluoro-benzaldehyde → 4-(chloromethyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole (671215-76-2)

Guidance literature:

Reference yield:

2-Fluorobenzaldehyde (446-52-6) → 4-(chloromethyl)-2-(2-fluorophenyl)-5-methyl-1,3-oxazole (671215-76-2)

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

2-Fluorobenzaldehyde

Downstream raw materials:

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

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

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