METHYL 4,4,4-TRIFLUOROACETOACETATE

Base Information

• Chemical Name: METHYL 4,4,4-TRIFLUOROACETOACETATE
• CAS No.: 83643-84-9
• Molecular Formula: C5H5F3O3
• Molecular Weight: 170.088
• Hs Code.: 29159000
• Mol file: 83643-84-9.mol

Synonyms:Methyl4,4,4-trifluoro-3-oxobutanoate;Methyl 4,4,4-trifluoroacetoacetate;methyl 4,4,4-trifluoro-3-oxobutanoate;butanoic acid, 4,4,4-trifluoro-3-oxo-, methyl ester;

Chemical Property of METHYL 4,4,4-TRIFLUOROACETOACETATE

Chemical Property:

• Melting Point: 19 °C
• Refractive Index: n20/D 1.372
• Boiling Point: 117.4 °C at 760 mmHg
• Flash Point: 25.1 °C
• PSA: 43.37000
• Density: 1.328 g/cm³
• LogP: 0.68090

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 4,4,4-Trifluoroacetoacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; F
• Hazard Codes: Xi,F
• Statements: 10-36/37/38-36/38
• Safety Statements: 26-36-33-15

MSDS Files:

SDS file from LookChem

Useful:

• Uses: It is used as a drug intermediate. It is a cyclization, oxidation and halogenating reaction catalyst.

Technology Process of METHYL 4,4,4-TRIFLUOROACETOACETATE

There total 3 articles about METHYL 4,4,4-TRIFLUOROACETOACETATE 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:

2-Chloro-4,4,4-trifluoro-3-oxo-butyric acid methyl ester (106775-98-8) → methyl 4,4,4-trifluoroacetoacetate (83643-84-9,488711-09-7)

Guidance literature:

With hydrogen sulfide; triphenylphosphine; In toluene; for 2h; Heating;

DOI:10.1007/BF00954233

Reference yield:

2,2-Dibromo-4,4,4-trifluoro-3-oxo-butyric acid methyl ester (93032-04-3) → methyl 4,4,4-trifluoroacetoacetate (83643-84-9,488711-09-7)

Guidance literature:

With hydrogen sulfide; triphenylphosphine; In toluene; for 2h; Heating;

DOI:10.1007/BF00954233

Reference yield:

2,2-Dimethyl-5-(2,2,2-trifluoro-1-hydroxy-ethylidene)-[1,3]dioxane-4,6-dione (693817-83-3) → methyl 4,4,4-trifluoroacetoacetate (83643-84-9,488711-09-7)

Guidance literature:

In ethanol; for 3h; Reflux;

DOI:10.1039/d1cc00486g

upstream raw materials:

2-Chloro-4,4,4-trifluoro-3-oxo-butyric acid methyl ester

2,2-Dibromo-4,4,4-trifluoro-3-oxo-butyric acid methyl ester

2,2-Dimethyl-5-(2,2,2-trifluoro-1-hydroxy-ethylidene)-[1,3]dioxane-4,6-dione

Downstream raw materials:

β-N-(α-phenylethyl)amino-β-trifluoromethylacrylic acid

(E)-3-Chloro-4,4,4-trifluoro-2-formyl-but-2-enoic acid methyl ester

(Z)-3-Chloro-4,4,4-trifluoro-2-formyl-but-2-enoic acid methyl ester

acetamide

Refernces

• 1、 Bodrov, M. B.,Saloutin, V. I.,Pashkevich, K. I.. "POLYFLUORINATED Β-KETOESTERS AND THEIR α-HALOGENATED DERIVATIVES IN REACTIONS WITH TETRAPHOSPHORUS DECASULFIDE AND 2,4-BIS(4-(METHOXYPHENYL))-2,4-DITHIOXO-pV,PV-1,3,2,4-DITHIODIPHOSPHETANE". . p. 799 - 804. Retrieved 2007/10/02.