Methyl 2-fluoro-2-methylpropanoate

Base Information

• Chemical Name: Methyl 2-fluoro-2-methylpropanoate
• CAS No.: 338-76-1
• Molecular Formula: C5H9FO2
• Molecular Weight: 120.124
• Hs Code.: 2915900090
• European Community (EC) Number: 830-079-4
• DSSTox Substance ID: DTXSID40430706
• Nikkaji Number: J316.907C
• Wikidata: Q72490806
• Mol file: 338-76-1.mol

Synonyms:Methyl 2-fluoro-2-methylpropanoate;338-76-1;METHYL 2-FLUORO-2-METHYLPROPIONATE;METHYL 2-FLUOROISOBUTYRATE;Propanoic acid, 2-fluoro-2-methyl-, methyl ester;2-fluoro-2-methylpropanoic acid methyl ester;SCHEMBL226311;DTXSID40430706;Methyl2-fluoro-2-methylpropanoate;OEGBOFOVYSOERL-UHFFFAOYSA-N;MFCD03265444;AKOS005063664;AB13921;DS-1916;methyl 2-fluoranyl-2-methyl-propanoate;CS-0017916;FT-0650416;M2827;2-Fluoro-2-methylpropionic Acid Methyl Ester;EN300-226187;8-Methyl-2-pyridin-2-ylquinoline-4-carboxylicacid;A821976;A935306;J-019355;J-522014

Chemical Property of Methyl 2-fluoro-2-methylpropanoate

Chemical Property:

• Vapor Pressure: 21.853mmHg at 25°C
• Refractive Index: 1.369
• Boiling Point: 112.322 °C at 760 mmHg
• Flash Point: 22.16 °C
• PSA: 26.30000
• Density: 1.001 g/cm³
• LogP: 0.90750
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 120.05865769
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

99% ^*data from raw suppliers

Methyl 2-Fluoro-2-methylpropionate ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)OC)F
• Uses: Methyl 2-fluoro-2-methylpropionate is a key intermediates in the synthesis of triazine herbicides and plant growth regulators.

Technology Process of Methyl 2-fluoro-2-methylpropanoate

There total 2 articles about Methyl 2-fluoro-2-methylpropanoate 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: 3.9%

→ methyl α-fluoro-α-methylpropionate (338-76-1) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7)

Guidance literature:

Reference yield: 2.1%

methyl 2-hydroxy-2-methylpropionate (2110-78-3) → methyl α-fluoro-α-methylpropionate (338-76-1) + methacrylic acid methyl ester (80-62-6,114512-63-9,143476-91-9,25188-98-1,9011-14-7)

Guidance literature:

With thionyl chloride; hydrogen fluoride;

Reference yield: 100.0%

methyl α-fluoro-α-methylpropionate (338-76-1) → 2-fluoro-2-methyl-propan-1-ol (3109-99-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; for 1h; Inert atmosphere; Cooling with ice;

upstream raw materials:

methyl 2-hydroxy-2-methylpropionate

Downstream raw materials:

2-fluoro-2-methyl-propan-1-ol

Refernces

• 1、 -. "Process for the production of 2-fluoroisobutyric acid or its ester". . . Retrieved 2008/06/13.