Methyl 2,3,3-trifluoroacrylate

Base Information

• Chemical Name: Methyl 2,3,3-trifluoroacrylate
• CAS No.: 392-41-6
• Molecular Formula: C4H3 F3 O2
• Molecular Weight: 140.062
• Hs Code.: 29161290
• European Community (EC) Number: 206-875-7
• DSSTox Substance ID: DTXSID90192443
• Nikkaji Number: J26.237D
• Mol file: 392-41-6.mol

Synonyms:Methyl trifluoroacrylate;392-41-6;Methyl 2,3,3-trifluoroacrylate;methyl 2,3,3-trifluoroprop-2-enoate;methyltrifluoroacrylate;C4H3F3O2;EINECS 206-875-7;Methyltrifluoracrylat;2-Propenoic acid, 2,3,3-trifluoro-, methyl ester;SCHEMBL1276154;DTXSID90192443;LOYYAPWQNHOYQA-UHFFFAOYSA-N;Trifluoroacrylic acid methyl ester;BBL104067;MFCD00077566;STL557881;AKOS005254999;MS-20780;CS-0206776;methyl 2,3,3-tris(fluoranyl)prop-2-enoate;2,3,3-trifluoro-2-propenoic acid methyl ester;A824481

Chemical Property of Methyl 2,3,3-trifluoroacrylate

Chemical Property:

• Vapor Pressure: 63.1mmHg at 25°C
• Boiling Point: 85-86°C
• Flash Point: 16.4°C
• PSA: 26.30000
• Density: 1,326 g/cm3
• LogP: 1.23700
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 140.00851382
• Heavy Atom Count: 9
• Complexity: 148

Purity/Quality:

99%, ^*data from raw suppliers

MethylTrifluoroacrylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FXi
• 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(F)F)F

Technology Process of Methyl 2,3,3-trifluoroacrylate

There total 7 articles about Methyl 2,3,3-trifluoroacrylate 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: 85.0%

2,3-dibromo-2,3,3-trifluoro-propionic acid methyl ester (378-66-5) → methyl trifluoropropenoate (392-41-6)

Guidance literature:

With hydroquinone; zinc; In diethyl ether; for 1h;

Reference yield:

polytetrafluoroethylene (116-14-3,82785-14-6) + methyl chloroformate (79-22-1) → methyl trifluoropropenoate (392-41-6)

Guidance literature:

polytetrafluoroethylene; With magnesium; zinc(II) chloride; at 60 ℃; under 3800.26 Torr; Inert atmosphere; Autoclave;

methyl chloroformate; With [2,2]bipyridinyl; copper(l) chloride; In benzene-d6; at 60 ℃; for 10h; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.0c03189

Reference yield:

methyl 2,3,3,3-tetrafluoropropanoate (382-93-4) → methyl trifluoropropenoate (392-41-6)

Guidance literature:

With potassium chloride; at 600 - 800 ℃;

upstream raw materials:

diazomethane

trifluoroacrylic acid

methyl 2,3,3,3-tetrafluoropropanoate

methanol

Downstream raw materials:

dimethyl 2-fluoromalonate

Refernces

• 1、 Nguyen, T.,Wakselman, C.. "SYNTHESIS OF PERFLUOROACRYLIC ACID FROM 3-HYDROTETRAFLUOROPROPANOL". . p. 97 - 99. Retrieved 2007/10/02.