Methyl 2-fluoro-3,3,3-trimethoxypropanoate

Base Information

• Chemical Name: Methyl 2-fluoro-3,3,3-trimethoxypropanoate
• CAS No.: 77778-66-6
• Molecular Formula: C₇H₁₃FO₅
• Molecular Weight: 196.176
• Hs Code.: 2918990090
• European Community (EC) Number: 674-922-2
• DSSTox Substance ID: DTXSID00407156
• Mol file: 77778-66-6.mol

Synonyms:methyl 2-fluoro-3,3,3-trimethoxypropanoate;77778-66-6;Propanoic acid,2-fluoro-3,3,3-trimethoxy-, methyl ester;Methyl-2-fluoro-3,3,3-trimethoxypropionate;DTXSID00407156;HMS1783F20;MFCD07323646;AKOS006230367;CS-0301818;EN300-13927;2-fluoro-3,3,3-trimethoxy-2-methyl-propanoate;A839187;Z94599213

Chemical Property of Methyl 2-fluoro-3,3,3-trimethoxypropanoate

Chemical Property:

• Vapor Pressure: 0.0921mmHg at 25°C
• Boiling Point: 85-87/6mm
• Flash Point: 87
• PSA: 53.99000
• Density: 1.137g/cm³
• LogP: 0.09050
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 196.07470167
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-Fluoro-3,3,3-trimethoxypropanoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-fluoro-3,3,3-trimethoxypropanoate

There total 4 articles about Methyl 2-fluoro-3,3,3-trimethoxypropanoate 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: 84.0%

methanol (67-56-1) + methyl 2,3,3,3-tetrafluoropropanoate (382-93-4) → methyl 2-fluoro-3,3,3-trimethoxypropanoate (77778-66-6)

Guidance literature:

With sodium; at 20 ℃; for 2h;

Reference yield:

methyl 3-chlorodifluoropropenoate (79546-70-6) → dimethyl 2-fluoromalonate (344-14-9) + methyl 2-fluoro-3,3,3-trimethoxypropanoate (77778-66-6)

Guidance literature:

With sodium methylate; In methanol; at 20 ℃; Yield given;

Reference yield:

methyl 3-chlorodifluoropropenoate (79546-70-6) → dimethyl 2-fluoromalonate (344-14-9) + methyl 2-fluoro-3,3,3-trimethoxypropanoate (77778-66-6)

Guidance literature:

In methanol; at 20 ℃; Yield given;

upstream raw materials:

methanol

methyl 2,3,3,3-tetrafluoropropanoate

sodium methylate

methyl 3-chlorodifluoropropenoate

Downstream raw materials:

dimethyl 2-fluoromalonate