2,2-Bis(trifluoromethyl)propionyl fluoride

Base Information

• Chemical Name: 2,2-Bis(trifluoromethyl)propionyl fluoride
• CAS No.: 1735-87-1
• Molecular Formula: C5H3 F7 O
• Molecular Weight: 212.07
• Hs Code.: 2915900090
• European Community (EC) Number: 695-213-4
• DSSTox Substance ID: DTXSID50371191
• Nikkaji Number: J874.566H
• Wikidata: Q81985749
• Mol file: 1735-87-1.mol

Synonyms:2,2-Bis(trifluoromethyl)propionyl fluoride;1735-87-1;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl fluoride;SCHEMBL421936;DTXSID50371191;AKOS025213998;2,2-Bis(trifluoromethyl)propanoyl fluoride;FT-0609192;2,2-bis(trifluoromethyl)propionic acid fluoride;A811532;3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propionyl fluoride;3,3,3-Trifluoro-2-methyl-2-trifluoromethyl-propionyl fluoride

Chemical Property of 2,2-Bis(trifluoromethyl)propionyl fluoride

Chemical Property:

• Refractive Index: 1.293
• Boiling Point: 57.5°Cat760mmHg
• Flash Point: 7.9°C
• PSA: 17.07000
• Density: 1.447g/cm³
• LogP: 2.61340
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 212.00721185
• Heavy Atom Count: 13
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

2,2-Bis(trifluoromethyl)propionylFluoride ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)F)(C(F)(F)F)C(F)(F)F

Technology Process of 2,2-Bis(trifluoromethyl)propionyl fluoride

There total 3 articles about 2,2-Bis(trifluoromethyl)propionyl fluoride 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: 99.1%

1,3,3,3-tetrafluoro-1-methoxy-2-trifluoromethyl-propene (360-53-2) → 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoyl fluoride (1735-87-1)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; at 97 - 98 ℃; for 2h; var. phase transfer reag.: PhCH₂Me₃NCl, PhCH₂Ph₃NCl;

DOI:10.1016/S0022-1139(00)85113-1

Reference yield:

3,3,3-trifluoro-2-trifluoromethyl-propionyl fluoride (382-22-9) + methyl iodide (74-88-4) → 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoyl fluoride (1735-87-1)

Guidance literature:

With triethylamine; (heating);

DOI:10.1007/BF00853700

Reference yield:

→ 3,3,3-Trifluoro-2-methyl-2-(trifluoromethyl)propanoyl fluoride (1735-87-1)

Guidance literature:

α-H-Hexafluorisobutyrylfluorid, 1.) CsF, diglyme, Octafluorisobuten, 2.) MeI; 49f, 48;

DOI:10.1016/S0022-1139(00)82555-5

upstream raw materials:

1,3,3,3-tetrafluoro-1-methoxy-2-trifluoromethyl-propene

3,3,3-trifluoro-2-trifluoromethyl-propionyl fluoride

methyl iodide

Downstream raw materials:

α-Methyl-hexafluoroisobuttersaeure-anilid

1,1,1,3,3,3-hexafluoro-2-methyl-propane

1,1,3,3,3-pentafluoro-2-methyl-1-propene