Ethyl pentafluoropropionate

Base Information

• Chemical Name: Ethyl pentafluoropropionate
• CAS No.: 426-65-3
• Molecular Formula: C5H5F5O2
• Molecular Weight: 192.086
• Hs Code.: 29159000
• European Community (EC) Number: 207-043-6
• DSSTox Substance ID: DTXSID2059980
• Nikkaji Number: J196.105E
• Wikidata: Q72476575
• Mol file: 426-65-3.mol

Synonyms:Ethyl pentafluoropropionate;426-65-3;Ethyl perfluoropropionate;Ethyl 2,2,3,3,3-pentafluoropropanoate;ethylpentafluoropropionate;C5H5F5O2;Propanoic acid, pentafluoro-, ethyl ester;PENTAFLUOROPROPIONIC ACID ETHYL ESTER;EINECS 207-043-6;Ethyl pentafluoropropanoate;Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester;Ethyl pentafluoropentanoate;ETHYLPENTAFLUOROpropanoate;2,2,3,3,3-Pentafluoro-propionic acid ethyl ester;SCHEMBL196352;DTXSID2059980;DBOFMRQAMAZKQY-UHFFFAOYSA-;AMY6817;Ethyl pentafluoropropionate, 98%;FD2075;MFCD00000431;AKOS005063332;Ethyl 2,2,3,3,3-pentafluoropropionate;AS-48928;Ethyl 2,2,3,3,3-pentafluoropropanoate #;FT-0626226;P1123;EN300-49204;2,2,3,3,3-pentafluoropropionic acid ethyl ester;J-521355

Chemical Property of Ethyl pentafluoropropionate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 105mmHg at 25°C
• Melting Point: 75.5°C
• Refractive Index: n20/D 1.301(lit.)
• Boiling Point: 75.5 °C at 760 mmHg
• Flash Point: 1.7 °C
• PSA: 26.30000
• Density: 1.353 g/cm³
• LogP: 1.74710
• Storage Temp.: 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 192.02097021
• Heavy Atom Count: 12
• Complexity: 173

Purity/Quality:

99% ^*data from raw suppliers

Ethyl Pentafluoropropionate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-33-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(C(F)(F)F)(F)F
• Uses: Ethyl pentafluoropropionate has been used:as pentafluoroethyl source in the direct synthesis of pentafluoroethyl copper (CuC2F5)in the synthesis of C-6 substituted fluoroalkenyl 2,4-dimethoxypyrimidine derivative

Technology Process of Ethyl pentafluoropropionate

There total 9 articles about Ethyl pentafluoropropionate 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: 100.0%

ethanol (64-17-5) + allyl-3,4,6-tri-O-acetyl-2-O-pentafluoropropionyl-α-D-mannopyranosyl-(1->2)-3,4,6-tri-O-benzyl-α-D-mannopyranoside (578739-23-8) → ethyl Pentafluoropropionate (426-65-3) + allyl-3,4,6-tri-O-acetyl-α-D-mannopyranosyl-(1->2)-3,4,6-tri-O-benzyl-α-D-mannopyranoside (578739-24-9)

Guidance literature:

With pyridine; at 20 ℃; for 2.5h;

DOI:10.1016/S0008-6215(03)00099-5

Reference yield: 80.0%

ethanol (64-17-5) + ethyl pentafluoropropanethioate (379-09-9) → ethyl Pentafluoropropionate (426-65-3)

Guidance literature:

With triethylamine; In acetonitrile; for 1h; Ambient temperature;

DOI:10.1016/S0022-1139(00)82321-0

Reference yield: 52.0%

1,1,1,3,4,4,5,5,5-nonafluoro-2-trifluoromethyl-2,3-epoxypentane (788-67-0) + triethyl phosphite (122-52-1) → fluorophosphoric acid diethyl ester (371-22-2) + ethyl Pentafluoropropionate (426-65-3) + hexafluoroisopropylidenetriethoxyphosphorane (1540-04-1)

Guidance literature:

In various solvent(s); for 23h; Heating;

DOI:10.1016/S0022-1139(00)80854-4

upstream raw materials:

ethanol

pentafluoropropionic acid

Hexafluoropropene oxide

Perfluorpropyl-chlorsulfat

Downstream raw materials:

4-chloro-α-(4-chlorophenyl)-α-(pentafluoroethyl)-benzenemethanol

5-ethoxy-2,2-dimethyl-5-pentafluoroethyl-4-phenyl-2,5-dihydro-oxazole

ethylpentafluoropropionylacetate

pentafluoroethyl phenyl ketone

Refernces

• 1、 Cheburkov, Yuri,Lillquist, Gerald J.. "Perfluoroalcohols". . p. 123 - 126. Retrieved 2007/10/03.
• 2、 Kadyrov, A. A.,Bargamov, G. G.,Rokhlin, E. M.. "New reactions of fluoroepoxides. Cleavage by trialkyl phosphites". . p. 195 - 202. Retrieved 2007/10/02.