Methyl pentafluoropropionate

Base Information

• Chemical Name: Methyl pentafluoropropionate
• CAS No.: 378-75-6
• Molecular Formula: C4H3F5O2
• Molecular Weight: 178.059
• Hs Code.: 29159000
• European Community (EC) Number: 206-828-0
• DSSTox Substance ID: DTXSID2059930
• Nikkaji Number: J213.601E
• Wikidata: Q72494401
• Mol file: 378-75-6.mol

Synonyms:Methyl pentafluoropropionate;378-75-6;Methyl Perfluoropropionate;methyl 2,2,3,3,3-pentafluoropropanoate;methylpentafluoropropionate;Pentafluoropropionic acid methyl ester;Propanoic acid, pentafluoro-, methyl ester;Methyl pentafluoropropanoate;Perfluoropropionic acid, methyl ester;Pentafluoropropanoic acid methyl ester;EINECS 206-828-0;2,2,3,3,3-Pentafluoro-propionic acid methyl ester;BRN 1777501;Methylester kyseliny pentafluorpropionove;Methylester kyseliny pentafluorpropionove [Czech];PROPIONIC ACID, PENTAFLUORO-, METHYL ESTER;Perfluoropropionic Acid Methyl Ester;MFCD00000430;4-02-00-00740 (Beilstein Handbook Reference);Propanoic acid, 2,2,3,3,3-pentafluoro-, methyl ester;C4H3F5O2;SCHEMBL1129794;DTXSID2059930;JMKJCPUVEMZGEC-UHFFFAOYSA-;AMY6770;C4-H3-F5-O2;FD2066;AKOS005063339;AS-48926;LS-124823;FT-0628776;P1352;A823914;J-522697;F8889-9362

Chemical Property of Methyl pentafluoropropionate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 8.29mmHg at 25°C
• Refractive Index: n20/D 1.288(lit.)
• Boiling Point: 62.5 °C at 760 mmHg
• Flash Point: 5.6 °C
• PSA: 26.30000
• Density: 1.42 g/cm³
• LogP: 1.35700
• Storage Temp.: Flammables area
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 178.00532014
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98% ^*data from raw suppliers

Methyl 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: 16-26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl pentafluoropropionate

There total 16 articles about Methyl 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: 61.0%

sodium methylate (124-41-4) + 1,1,1,3,4,4,5,5,5-nonafluoro-2-trifluoromethyl-2,3-epoxypentane (788-67-0) → perfluoropropionic acid methyl ester (378-75-6) + 1,1,1,3,3,3-hexafluoro-2-methoxypropane (13171-18-1)

Guidance literature:

In methanol; for 2h; Heating;

Reference yield:

4-heptafluoropropoxytrifluoro-1,2-oxathietane 2,2-dioxide (62949-75-1) → perfluoropropionic acid methyl ester (378-75-6) + 2,2-difluoro-2-(fluorosulfonyl)acetate (680-15-9)

Guidance literature:

With methanol; 25°C;

DOI:10.1021/ja00446a037

Reference yield:

ethanol (64-17-5) + perfluoropropanoyl fluoride (422-61-7) + dimethyl sulfate (77-78-1) → perfluoropropionic acid methyl ester (378-75-6) + ethyl Pentafluoropropionate (426-65-3) + heptafluoropropyl methyl ether (375-03-1)

Guidance literature:

perfluoropropanoyl fluoride; With triethylamine tris(hydrogen fluoride); triethylamine;

dimethyl sulfate; With triisooctyl amine; at 45 - 47 ℃; for 5.5h;

ethanol; at -78 ℃;

DOI:10.1016/S0022-1139(02)00204-X

upstream raw materials:

methanol

pentafluoropropionic acid

4-heptafluoropropoxytrifluoro-1,2-oxathietane 2,2-dioxide

3-Methoxypropionic acid

Downstream raw materials:

1,1-diphenyl-2,2,3,3,3-pentafluoropropan-1-ol

1,1,1,2,2-pentafluoro-6,6-dimethylheptane-3,5-dione

2-(pentafluoropropionyl)cyclohexanone

sodium pentafluoropropionate

Refernces

• 1、 -. "Novel Fire Retardant Compounds". Paragraph 0057. . Retrieved 2017/01/19.
• 2、 Galimberti, Marco,Fontana, Giovanni,Resnati, Giuseppe,Navarrini, Walter. "New catalytic alkylation of in situ generated perfluoro-alkyloxy-anions and perfluoro-carbanions". . p. 1578 - 1586. Retrieved 2007/10/03.