Methyl 2-fluoro-3-oxopentanoate

Base Information

• Chemical Name: Methyl 2-fluoro-3-oxopentanoate
• CAS No.: 180287-02-9
• Molecular Formula: C6H9FO3
• Molecular Weight: 148.134
• Hs Code.: 2918300090
• European Community (EC) Number: 817-369-6
• DSSTox Substance ID: DTXSID80436843
• Nikkaji Number: J1.638.434H
• Mol file: 180287-02-9.mol

Synonyms:METHYL 2-FLUORO-3-OXOPENTANOATE;180287-02-9;Methyl 2-fluoro-3-oxovalerate;pentanoic acid, 2-fluoro-3-oxo-, methyl ester;2-fluoro-3-oxopentanoic acid methyl ester;MFCD00792442;2-Fluoro-3-oxo-pentanoic acid methyl ester;Methyl2-fluoro-3-oxopentanoate;SCHEMBL736773;DTXSID80436843;ZHQHSDROMAJDFS-UHFFFAOYSA-N;BCP08802;CS-M3568;2-Fluoro-3-oxopentanoicacidmethylester;AKOS005064031;AM62556;AS-50309;FT-0643740;M3282;methyl 2-fluoranyl-3-oxidanylidene-pentanoate;O11876;EN300-1457738;5-METHYL-2-THIOPHENECARBOXYLICACIDHYDRAZIDE;A812540

Chemical Property of Methyl 2-fluoro-3-oxopentanoate

Chemical Property:

• Vapor Pressure: 1.496mmHg at 25°C
• Refractive Index: 1.39
• Boiling Point: 170.051 °C at 760 mmHg
• PKA: 9.11±0.46(Predicted)
• Flash Point: 55.625 °C
• PSA: 43.37000
• Density: 1.105 g/cm³
• LogP: 0.47660
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 148.05357231
• Heavy Atom Count: 10
• Complexity: 144

Purity/Quality:

99.9% ^*data from raw suppliers

SG000437:2-Fluoro-3-oxo-pentanoicacidmethylester 98 ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(C(=O)OC)F
• Uses: 2-Fluoro-3-oxopentanoic Acid Methyl Ester is used in preparation of Fluorophenol derivatives. by cyclocondensation of α-Fluoro ketones with α-Fluoro-α,β-unsaturated Ketones.

Technology Process of Methyl 2-fluoro-3-oxopentanoate

There total 8 articles about Methyl 2-fluoro-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:

trimethoxysilane (2487-90-3) + 1-undecen-11-ylbromide (7766-50-9) → (11-bromoundecyl)trimethoxysilane (17947-99-8)

Guidance literature:

platinum; In pentane;

DOI:10.1039/b512537e

Reference yield:

→ (11-bromoundecyl)trimethoxysilane (17947-99-8)

Guidance literature:

Reference yield:

methyl propanoyl acetate (30414-53-0) → 2-fluoro-3-oxopentanoic acid methyl ester (180287-02-9)

Guidance literature:

With BDM/N₂; hydrogen fluoride; at -20 ℃;

upstream raw materials:

methyl propanoyl acetate

trimethoxysilane

1-undecen-11-ylbromide

Downstream raw materials:

4'-methyl-[1,1':3',1''-terphenyl]-5'-ol

methyl 5'-hydroxy-6'-methyl-[1,1';3',1'']terphenyl-4'-carboxylate

5-fluoro-6-ethyl-2-[2-propoxy-5-(4-methyl-1-piperazinylsulfonyl)phenyl]pyrimidin-4(3H)-one

2-(2-ethyl-[1,3]dioxolan-2-yl)fluoroacetic acid methyl ester

Refernces

• 1、 Adachi, Kenji,Ohira, Yutaka,Tomizawa, Ginjiro,Ishihara, Sumi,Oishi, Satoshi. "Electrophilic fluorination with N,N′-difluoro-2,2′-bipyridinium salt and elemental fluorine". . p. 173 - 183. Retrieved 2003.
• 2、 Qian, Jinlong,Yi, Wenbin,Huang, Xin,Miao, Yongbo,Zhang, Junkai,Cai, Chun,Zhang, Wei. "One-pot synthesis of 3,5-disubstituted and polysubstituted phenols from acyclic precursors". supporting information. p. 1090 - 1093. Retrieved 2015/03/14.
• 3、 -. "METHOD OF PURIFYING AND SEPARATING 2-FLUORO-3-OXOALKYLCARBOXYLIC ACID ESTER". Page column 5. . Retrieved 2008/06/13.