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

Base Information

• Chemical Name: 5,5-Difluoro-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
• CAS No.: 87574-76-3
• Molecular Formula: C10H6F5NO
• Molecular Weight: 251.156
• DSSTox Substance ID: DTXSID10518363

Synonyms:87574-76-3;DTXSID10518363;5,5-Difluoro-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

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

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 251.03695463
• Heavy Atom Count: 17
• Complexity: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NC(C(O2)(F)F)C(F)(F)F

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

There total 10 articles about 5,5-Difluoro-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-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: 92.0%

N-<2,2-Difluoro-1-(trifluoromethyl)vinyl>-benzamid (116177-77-6) → 5,5-Difluoro-2-phenyl-4-(trifluoromethyl)-2-oxazoline (87574-76-3)

Guidance literature:

In toluene; at 100 ℃; for 1.5h;

DOI:10.1016/S0022-1139(00)81563-8

Reference yield: 57.0%

2,2,2-Trimethoxy-5-phenyl-3,3-Bis(trifluormethyl)-2,3-dihydro-1,4,2λ5-oxazophosphol (33550-42-4) + methacrylonitrile (126-98-7,25067-61-2) → 5-Fluoro-4-trifluoromethyl-2-phenyloxazole (70276-69-6) + 5,5-Difluoro-2-phenyl-4-(trifluoromethyl)-2-oxazoline (87574-76-3) + 4-Methyl-2-phenyl-5,5-bis(trifluormethyl)-1-pyrrolin-4-carbonitril + 3-Methyl-2-phenyl-5,5-bis(trifluormethyl)-1-pyrrolin-3-carbonitril

Guidance literature:

In toluene; at 100 ℃;

Reference yield: 55.0%

2,2,2-Trimethoxy-5-phenyl-3,3-Bis(trifluormethyl)-2,3-dihydro-1,4,2λ5-oxazophosphol (33550-42-4) → 5-Fluoro-4-trifluoromethyl-2-phenyloxazole (70276-69-6) + 5,5-Difluoro-2-phenyl-4-(trifluoromethyl)-2-oxazoline (87574-76-3) + 5-Phenyl-2,2-bis(trifluormethyl)-2H-pyrrol-3,4-dicarbonitril

Guidance literature:

With 1,2-Dicyanoethylene; In toluene; for 18h; Heating;

upstream raw materials:

N-<2,2-Difluoro-1-(trifluoromethyl)vinyl>-benzamid

crotononitrile

2,2,2-Trimethoxy-5-phenyl-3,3-Bis(trifluormethyl)-2,3-dihydro-1,4,2λ⁵-oxazophosphol

methyl methacrylate

Downstream raw materials:

5-Fluoro-4-trifluoromethyl-2-phenyloxazole

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