Methyl heptafluorobutyrate

Base Information

• Chemical Name: Methyl heptafluorobutyrate
• CAS No.: 356-24-1
• Molecular Formula: C5H3 F7 O2
• Molecular Weight: 228.066
• Hs Code.: 29159000
• European Community (EC) Number: 206-600-0
• UNII: OZ6T850AR0
• DSSTox Substance ID: DTXSID4059881
• Nikkaji Number: J111.004G
• Wikidata: Q81985254
• Mol file: 356-24-1.mol

Synonyms:2,2,3,3,4,4,4-heptafluoro-butyric acid methyl ester;heptafluorobutyryl methyl ester;methyl 2,2,3,3,4,4,4-heptafluorobutanoate;methyl heptafluorobutanoate;methyl heptafluorobutyrate;methyl heptafluorobutyric acid;methyl perfluorobutanoate;methyl perfluorobutyrate

Chemical Property of Methyl heptafluorobutyrate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 87mmHg at 25°C
• Melting Point: -86°C
• Refractive Index: n20/D 1.293(lit.)
• Boiling Point: 80 °C at 760 mmHg
• Flash Point: >230 °F
• PSA: 26.30000
• Density: 1.472 g/mL at 25 °C(lit.)
• LogP: 1.99230
• Water Solubility.: Slightly soluble in water
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 228.00212647
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

99.9% ^*data from raw suppliers

Methyl Heptafluorobutyrate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C(C(F)(F)F)(F)F)(F)F
• Uses: Methyl Heptafluorobutyrate is used in method for preparing high-carbon branched secondary Alcohol, and its application in preparing surfactant.

Technology Process of Methyl heptafluorobutyrate

There total 13 articles about Methyl heptafluorobutyrate 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: 70.0%

dimethyl perfluoro(2-methyl-3-oxa-heptane-1,7-dioate) (55678-21-2) → 3,3-dimethoxyperfluoro(2-methyloxane) (1029435-68-4) + methyl heptafluorobutyrate (356-24-1) + methyl 4-trifluoroethenoxy-2,2,3,3,4,4-hexafluorobutanoate (19190-61-5)

Guidance literature:

With sodium perfluorobutyrate; In diethylene glycol dimethyl ether; at 120 - 150 ℃;

DOI:10.1007/s11167-008-1022-2

Reference yield: 14.2%

methanol (67-56-1) + 3,3,4-Trifluoro-4-nonafluorobutyloxy-[1,2]oxathietane 2,2-dioxide (131339-18-9) → methyl heptafluorobutyrate (356-24-1) + 2,2-difluoro-2-(fluorosulfonyl)acetate (680-15-9)

Guidance literature:

at 0 ℃;

DOI:10.1016/S0022-1139(00)85030-7

Reference yield:

t-butyl heptafluoroperoxybutyrate (91481-65-1) → heptafluorobutyric Acid (375-22-4) + HFC-227ca (2252-84-8) + methyl heptafluorobutyrate (356-24-1) + tert-butyl heptafluorobutyrate (425-24-1) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With pyridine; In octane; at 100 ℃; for 10h; Thermodynamic data; Rate constant; Product distribution; ΔH(excit.); ΔS(excit.); other temperature;

DOI:10.1246/bcsj.58.3448

upstream raw materials:

methanol

heptafluorobutyric Acid

perfluorobutyryl fluoride

methyl phosphite

Downstream raw materials:

2,2,3,3,4,4,4-heptafluoro-1,1-diphenyl-butan-1-ol

4,4,5,5,6,6,6-heptafluoro-1-phenyl-hexane-1,3-dione

(+)-(R)-perfluoropropyl <(4-methylphenyl)sulphinyl>methyl ketone

1H-heptafluoro-1-methoxy-butan-1-ol

Refernces

• 1、 Chepaikin,Bezruchenko,Menchikova,Gekhman. "Homogeneous oxidation of alkanes: Role of rhodium–alkyl complexes". . p. 389 - 392. Retrieved 2016/12/16.
• 2、 Lebedev,Berenblit,Starobin. "Cyclization processes in pyrolysis of perfluorooxaalkanedicarboxylic acid derivatives". . p. 95 - 99. Retrieved 2008/09/17.