5-Ethoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

Base Information

• Chemical Name: 5-Ethoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole
• CAS No.: 96105-70-3
• Molecular Formula: C12H10F3NO2
• Molecular Weight: 257.212
• DSSTox Substance ID: DTXSID70559393
• Wikidata: Q82442091
• Mol file: 96105-70-3.mol

Synonyms:96105-70-3;5-Ethoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole;DTXSID70559393

Chemical Property of 5-Ethoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 257.06636305
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(N=C(O1)C2=CC=CC=C2)C(F)(F)F

Technology Process of 5-Ethoxy-2-phenyl-4-(trifluoromethyl)-1,3-oxazole

There total 7 articles about 5-Ethoxy-2-phenyl-4-(trifluoromethyl)-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: 89.5%

5-Fluoro-4-trifluoromethyl-2-phenyloxazole (70276-69-6) + ethanol (64-17-5) → 5-Ethoxy-2-phenyl-4-trifluoromethyloxazole (96105-70-3)

Guidance literature:

With potassium hydroxide; at 25 - 30 ℃; for 0.333333h;

DOI:10.1016/S0022-1139(00)81313-5

Reference yield: 89.0%

ethyl 3,3,3-trifluoromethyl-2-diazopropionate (59733-95-8,906512-35-4) + benzonitrile (100-47-0) → 5-Ethoxy-2-phenyl-4-trifluoromethyloxazole (96105-70-3)

Guidance literature:

rhodium(II) acetate; In chloroform; for 6h; Heating;

DOI:10.1039/c39890000607

Reference yield:

ethyl-3,3,3-trifluoropyruvate (13081-18-0) → 5-Ethoxy-2-phenyl-4-trifluoromethyloxazole (96105-70-3)

Guidance literature:

Multi-step reaction with 3 steps

1: CH₂Cl₂ / Ambient temperature

2: POCl₃, pyridine / CH₂Cl₂ / Heating

3: 89 percent / rhodium acetate / CHCl₃ / 6 h / Heating

With pyridine; trichlorophosphate; rhodium(II) acetate; In dichloromethane; chloroform;

DOI:10.1039/c39890000607

upstream raw materials:

5-Fluoro-4-trifluoromethyl-2-phenyloxazole

ethanol

ethyl 3,3,3-trifluoromethyl-2-diazopropionate

benzonitrile

Downstream raw materials:

N-Benzoyl-3,3,3-trifluoroalanine

ethyl 2-benzamido-3,3,3-trifluoropropionate