Methyl 2,2,3,3,4,4-hexafluorobutanoate

Base Information

• Chemical Name: Methyl 2,2,3,3,4,4-hexafluorobutanoate
• CAS No.: 356-32-1
• Molecular Formula: C5H4 F6 O2
• Molecular Weight: 210.076
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID00379546
• Nikkaji Number: J950.263G
• Wikidata: Q81985797
• Mol file: 356-32-1.mol

Synonyms:methyl 2,2,3,3,4,4-hexafluorobutanoate;356-32-1;Methyl 2,2,3,3,4,4-hexafluorobutyrate;Methyl 4H-perfluorobutanoate;METHYL2,2,3,3,4,4-HEXAFLUOROBUTANOATE;SCHEMBL5704619;DTXSID00379546;GUDSBACGSFZSPH-UHFFFAOYSA-N;MFCD00465645;AKOS025116809;AS-9699;FT-0628401;2,2,3,3,4,4-Hexafluorobutanoic acid methyl ester

Chemical Property of Methyl 2,2,3,3,4,4-hexafluorobutanoate

Chemical Property:

• Vapor Pressure: 37.6mmHg at 25°C
• Refractive Index: 1.302
• Boiling Point: 99.8°Cat760mmHg
• Flash Point: 14.7°C
• PSA: 26.30000
• Density: 1.422g/cm³
• LogP: 1.69510
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 210.01154834
• Heavy Atom Count: 13
• Complexity: 201

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2,2,3,3,4,4-Hexafluorobutanoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: 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(F)F)(F)F)(F)F

Technology Process of Methyl 2,2,3,3,4,4-hexafluorobutanoate

There total 4 articles about Methyl 2,2,3,3,4,4-hexafluorobutanoate 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:

6-carbomethoxy-perfluoro-2-methyl-3-oxa-hexanoyl fluoride (64725-41-3) → methyl 2,2,3,3,4,4-hexafluorobutyrate (356-32-1) + methyl 4-trifluoroethenoxy-2,2,3,3,4,4-hexafluorobutanoate (19190-61-5)

Guidance literature:

With sodium carbonate; Heating;

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:

hexafluoroglutaric acid monomethyl ester (14868-60-1) → methyl 2,2,3,3,4,4-hexafluorobutyrate (356-32-1)

Guidance literature:

With sodium methylate; In methanol; acetonitrile; (anodic oxidation);

upstream raw materials:

hexafluoroglutaric acid monomethyl ester

methanol

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

carbon dioxide

Refernces

• 1、 Yuminov. "Polyfluorinated ethers: IV.* By-products in the synthesis of polyfluorinated alkyl vinyl ethers in a solvating solvent". . p. 1715 - 1720. Retrieved 2007/10/03.