89129-66-8

Basic information

• Product Name: Methyl-4,4-difluoroacetoacetate (MeDFAA)
• Synonyms: Methyl-4,4-difluoroacetoacetate (MeDFAA);Methyl-4,4-difluoroacetoacetate;4,4-Difluoro-3-oxobutyric acid methyl ester
• CAS NO: 89129-66-8
• Molecular Formula: C₅H₆F₂O₃
• Molecular Weight: 152.095
• Mol File: 89129-66-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 147.327°C at 760 mmHg
• Flash Point: 42.452°C
• Appearance: /
• Density: 1.237g/cm³
• Vapor Pressure: 4.448mmHg at 25°C
• Refractive Index: 1.363
• PKA: 8.59±0.46(Predicted)
• CAS DataBase Reference: Methyl-4,4-difluoroacetoacetate (MeDFAA)(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl-4,4-difluoroacetoacetate (MeDFAA)(89129-66-8)
• EPA Substance Registry System: Methyl-4,4-difluoroacetoacetate (MeDFAA)(89129-66-8)

Safety Data

• Hazardous Substances Data: 89129-66-8(Hazardous Substances Data)

Usage

Uses

Methyl 4,4-difluoro-3-oxobutanoate is an useful building block reagent in the preparation of organic compounds of research interest.

InChI:InChI=1/C5H6F2O3/c1-10-4(9)2-3(8)5(6)7/h5H,2H2,1H3

Upstream product

• 667-50-5 Difluoroacetic acid N,N-dimethylamide 
• 124-41-4 sodium methylate 
• 141-78-6 ethyl acetate 

Downstream Products

• 1370334-05-6 2-(4-bromophenyl)-6-difluoromethylpyrimidin-4-one 

Relevant articles and documents

PROCESS FOR THE PREPARATION OF 4,4-DIFLUORO-3-OXOBUTANOIC ACID ESTERS

The present invention relates to a process for the preparation of a compound of the formula (I), wherein R is C1-12 alkyl, by the contact of a compound of the general formula (II) , wherein R1 and R2 are each, independently, C1-12 alkyl; or R1 and R2 join together with the nitrogen atom to which they are attached to form an alicyclic amine ring containing 4 to 7 carbon atoms or a morpholine ring, with an acetic acid ester of the general formula (III) CH3COOR, wherein R is as defined under formula (I), in the presence of a base.