Methyl 2,2,3,3,4,4,5,5-octafluoropentanoate

Base Information

• Chemical Name: Methyl 2,2,3,3,4,4,5,5-octafluoropentanoate
• CAS No.: 54822-22-9
• Molecular Formula: C6H4F8O2
• Molecular Weight: 260.084
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID50379556
• Nikkaji Number: J950.261K
• Wikidata: Q81985798
• Mol file: 54822-22-9.mol

Synonyms:54822-22-9;Methyl 5H-perfluoropentanoate;Methyl 2,2,3,3,4,4,5,5-octafluoropentanoate;2,2,3,3,4,4,5,5-octafluoropentanoic acid methyl ester;Methyl 5H-octafluoropentanoate;SCHEMBL5704654;DTXSID50379556;NARNQFAFGNRNNN-UHFFFAOYSA-N;MFCD00155900;AKOS003789609;FT-0628400;A830375

Chemical Property of Methyl 2,2,3,3,4,4,5,5-octafluoropentanoate

Chemical Property:

• Vapor Pressure: 18.5mmHg at 25°C
• Refractive Index: 1.3
• Boiling Point: 116.1°C at 760 mmHg
• Flash Point: 24.3°C
• PSA: 26.30000
• Density: 1.484g/cm³
• LogP: 2.33040
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 260.00835466
• Heavy Atom Count: 16
• Complexity: 274

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl 5H-perfluoropentanoate 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2,2,3,3,4,4,5,5-octafluoropentanoate

There total 4 articles about Methyl 2,2,3,3,4,4,5,5-octafluoropentanoate 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:

methanol (67-56-1) + 1,4-dibromo-1,1,2,2,3,3,4,4-octafluoro-butane (335-48-8) + carbon dioxide (124-38-9,18923-20-1) → 1-bromo-1,1,2,2,3,3,4,4-octafluoro-butane (558-86-1) + 1,1,2,2,3,3,4,4-octafluorobutane (377-36-6) + methyl 2,2,3,3,4,4-hexafluorobutyrate (356-32-1) + methyl 2,2,3,3,4,4,5,5-octafluoropentanoate (54822-22-9)

Guidance literature:

With tetrabutylammonium tetrafluoroborate; at 50 ℃; under 71255.7 Torr; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; electrolysis: copper foil as cathode, platinum grid as anode, Ag quasi-reference electrode, -3.0 V, 2000 C;

DOI:10.1016/S0022-1139(97)00131-0

Reference yield:

1,4-dibromo-1,1,2,2,3,3,4,4-octafluoro-butane (335-48-8) → 1-bromo-1,1,2,2,3,3,4,4-octafluoro-butane (558-86-1) + 1,1,2,2,3,3,4,4-octafluorobutane (377-36-6) + methyl 2,2,3,3,4,4,5,5-octafluoropentanoate (54822-22-9) + 2,2,3,3,4,4,5,5,6,6-Decafluoro-hexanoic acid methyl ester

Guidance literature:

With methanol; carbon dioxide; tetrabutylammonium tetrafluoroborate; at 50 ℃; under 71255.7 Torr; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; electrolysis: copper foil as cathode, platinum grid as anode, Ag quasi-reference electrode, -3.0 V, 2000 C;

DOI:10.1016/S0022-1139(97)00131-0

Reference yield:

methanol (67-56-1) + 1,4-dibromo-1,1,2,2,3,3,4,4-octafluoro-butane (335-48-8) + carbon dioxide (124-38-9,18923-20-1) → 1-bromo-1,1,2,2,3,3,4,4-octafluoro-butane (558-86-1) + 1,1,2,2,3,3,4,4-octafluorobutane (377-36-6) + methyl 2,2,3,3,4,4,5,5-octafluoropentanoate (54822-22-9) + 2,2,3,3,4,4,5,5,6,6-Decafluoro-hexanoic acid methyl ester

Guidance literature:

With tetrabutylammonium tetrafluoroborate; at 50 ℃; under 71255.7 Torr; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; electrolysis: copper foil as cathode, platinum grid as anode, Ag quasi-reference electrode, -3.0 V, 2000 C;

DOI:10.1016/S0022-1139(97)00131-0

upstream raw materials:

Monomethylester d.Perfluoradipinat

methanol

1,4-dibromo-1,1,2,2,3,3,4,4-octafluoro-butane

carbon dioxide

Downstream raw materials:

1-Phenyl-4,4,5,5,6,6,7,7-octafluor-1,3-heptandion

2,2,3,3,4,4,5,5-octafluoropentan-1-ol

Refernces