Methyl 3,3,3-trifluoro-2-(methoxymethyl)propanoate

Base Information

• Chemical Name: Methyl 3,3,3-trifluoro-2-(methoxymethyl)propanoate
• CAS No.: 359-88-6
• Molecular Formula: C₆H₉F₃O₃
• Molecular Weight: 186.131
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID80407331
• Mol file: 359-88-6.mol

Synonyms:359-88-6;Methyl 3,3,3-trifluoro-2-(methoxymethyl)propanoate;methyl 3-methoxy-2-(trifluoromethyl)propanoate;Methyl 3-methoxy-2-(trifluoromethyl)propionate;METHYL3-METHOXY-2-(TRIFLUOROMETHYL)PROPANOATE;SCHEMBL10711245;DTXSID80407331;MFCD04038322;AKOS006228984;CS-0451667;FT-0676848;Methyl 3-methyoxy-2-(trifluoromethyl)propanoate

Chemical Property of Methyl 3,3,3-trifluoro-2-(methoxymethyl)propanoate

Chemical Property:

• Vapor Pressure: 1.66mmHg at 25°C
• Boiling Point: 168 ºC at 760 mmHg
• Flash Point: 54.4 ºC
• PSA: 35.53000
• Density: 1.207 g/cm³
• LogP: 0.98430
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 186.05037863
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

Methyl3-Methoxy-2-(trifluoromethyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC(C(=O)OC)C(F)(F)F
• Uses: Methyl 3-methoxy-2-(trifluoromethyl)propanoate is a byproduct of the synthesis of trifluoromethyl-?substituted unsaturated acid.

Technology Process of Methyl 3,3,3-trifluoro-2-(methoxymethyl)propanoate

There total 2 articles about Methyl 3,3,3-trifluoro-2-(methoxymethyl)propanoate 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: 82.0%

methanol (67-56-1) + 3,3,3-trifluoroprop-1-yne (661-54-1) + carbon monoxide (201230-82-2) → methyl α-trifluoromethylacrylate (382-90-1) + β,β,β-trifluoro-β'-methoxy-isobutyric acid methyl ester (359-88-6) + methyl (E)-3-(trifluoromethyl)propenoate (189287-30-7) + methyl (Z)-3-trifluoromethylpropenoate

Guidance literature:

With methanesulfonic acid; Pd(OAc)2*(6-methylpyrid-2-yl)diphenylphosphine; In 1-methyl-pyrrolidin-2-one; dichloromethane; at 80 ℃; for 48h; under 15201 Torr; Further Variations:; Temperatures; Pressures; Solvents; ratio Pd:ligand:acid; Product distribution;

DOI:10.1002/1615-4169(200207)344:5<543::AID-ADSC543>3.0.CO;2-U

Reference yield:

3-hydroxy-2-(trifluoromethyl)propenoic acid (382-43-4) + methyl iodide (74-88-4) → β,β,β-trifluoro-β'-methoxy-isobutyric acid methyl ester (359-88-6)

Guidance literature:

With acetone; silver(l) oxide;

upstream raw materials:

3-hydroxy-2-(trifluoromethyl)propenoic acid

methyl iodide

methanol

3,3,3-trifluoroprop-1-yne

Refernces