Methyl 2,2-difluoro-3-oxopentanoate

Base Information

• Chemical Name: Methyl 2,2-difluoro-3-oxopentanoate
• CAS No.: 196202-01-4
• Molecular Formula: C6H8 F2 O3
• Molecular Weight: 166.125
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID40379540
• Nikkaji Number: J1.328.187D
• Wikidata: Q82169394
• Mol file: 196202-01-4.mol

Synonyms:methyl 2,2-difluoro-3-oxopentanoate;196202-01-4;Pentanoic acid,2,2-difluoro-3-oxo-, methyl ester;METHYL 2,2-DIFLUOROPROPIONYLACETATE;N-PHENYLMALEAMICACID;SCHEMBL4314333;Methyl 2-propionyldifluoroacetate;DTXSID40379540;RCFKIGITIBNPQE-UHFFFAOYSA-N;MFCD00792443;AKOS005762867;2,2-Difluoro-3-oxovaleric acid methyl ester;CS-0336612;FT-0628402;Pentanoic acid,2,2-difluoro-3-oxo-,methyl ester

Chemical Property of Methyl 2,2-difluoro-3-oxopentanoate

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 50°C 7mm
• Flash Point: 65°C
• PSA: 43.37000
• Density: 1,1 g/cm3
• LogP: 0.77380
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 166.04415044
• Heavy Atom Count: 11
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

Methyl2,2-difluoro-3-oxopentanoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2,2-difluoro-3-oxopentanoate

There total 3 articles about Methyl 2,2-difluoro-3-oxopentanoate 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:

methyl propanoyl acetate (30414-53-0) → methyl ester of 2,2,4-trifluoro-3-oxopentanoic acid (439809-77-5) + methyl ester of 2,5-difluoro-3-oxopentanoic acid (439809-76-4) + methyl 2,2-difluoro-3-oxopentanoate (196202-01-4) + methyl 2,4-difluoro-3-oxopentanoate (196202-02-5) + 2-fluoro-3-oxopentanoic acid methyl ester (180287-02-9)

Guidance literature:

With fluorine; at 0 - 10 ℃; for 12 - 32h; Product distribution / selectivity;

Reference yield:

methyl propanoyl acetate (30414-53-0) → methyl 2,2-difluoro-3-oxopentanoate (196202-01-4) + methyl 2,4-difluoro-3-oxopentanoate (196202-02-5) + 2-fluoro-3-oxopentanoic acid methyl ester (180287-02-9) + fluoromethyl 2-fluoro-3-oxopentanoate

Guidance literature:

With bis(fluoroxy)difluoromethane; hydrogen fluoride; at -20 ℃;

DOI:10.1135/cccc20021416

Reference yield:

methyl propanoyl acetate (30414-53-0) → methyl 2,2-difluoro-3-oxopentanoate (196202-01-4) + methyl 2,4-difluoro-3-oxopentanoate (196202-02-5) + 2-fluoro-3-oxopentanoic acid methyl ester (180287-02-9)

Guidance literature:

With fluorine; In formic acid; at 6 ℃; for 4.26667h; Further Variations:; Solvents; time; Product distribution;

DOI:10.1016/S0022-1139(02)00327-5

upstream raw materials:

methyl propanoyl acetate

Refernces

• 1、 -. "PROCESS FOR PRODUCING 2-FLUORO-3-OXOALKYLCARBOXYLIC ACID ESTER". Page/Page column 6-8. . Retrieved 2008/06/13.