Trifluoroacetic acid pentafluoroethyl ester

Base Information

• Chemical Name: Trifluoroacetic acid pentafluoroethyl ester
• CAS No.: 30952-31-9
• Molecular Formula: C4F8O2
• Molecular Weight: 232.03
• DSSTox Substance ID: DTXSID20455093
• Nikkaji Number: J1.020.167E
• Wikidata: Q81986001
• Mol file: 30952-31-9.mol

Synonyms:Trifluoroacetic acid pentafluoroethyl ester;Pentafluoroethyl trifluoroacetate;30952-31-9;SCHEMBL11186690;DTXSID20455093;XYRHQRMZDVGRDY-UHFFFAOYSA-N;Trifluoro-acetic acid pentafluoroethyl ester

Chemical Property of Trifluoroacetic acid pentafluoroethyl ester

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 231.97705454
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Trifluoroacetic acid pentafluoroethyl ester

There total 3 articles about Trifluoroacetic acid pentafluoroethyl ester 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: 85.0%

2,2,2-trifluoroethyl trifluoroacetate (407-38-5) → trifluoroacetyl fluoride (354-34-7) + pentafluoroethyl trifluoroacetate (30952-31-9)

Guidance literature:

With fluorine; cesium fluoride; at -196 - -100 ℃; for 6h;

DOI:10.1246/bcsj.66.2454

Reference yield: 80.0%

ethyl 2-fluoroacetate (459-72-3) → trifluoroacetyl fluoride (354-34-7) + Trifluoro-acetic acid 1,2,2,2-tetrafluoro-ethyl ester (54214-47-0) + pentafluoroethyl trifluoroacetate (30952-31-9)

Guidance literature:

With fluorine; cesium fluoride; at -196 - -100 ℃; for 6h;

DOI:10.1246/bcsj.66.2454

Reference yield:

ethyl acetate (141-78-6) → trifluoroacetyl fluoride (354-34-7) + Trifluoro-acetic acid 1,2,2,2-tetrafluoro-ethyl ester (54214-47-0) + 2,2-difluoroacetyl fluoride (2925-22-6) + pentafluoroethyl trifluoroacetate (30952-31-9)

Guidance literature:

With fluorine; at -196 - -100 ℃; for 48h; Product distribution; in presence of alkali metal fluorides, var. times; also partially fluorinated ethyl acetates;

DOI:10.1246/bcsj.66.2454

upstream raw materials:

ethyl 2-fluoroacetate

2,2,2-trifluoroethyl trifluoroacetate

ethyl acetate

Refernces