55816-69-8

Basic information

• Product Name: ETHYL 2-FLUOROISOBUTYRATE
• Synonyms: Ethyl 2-fluoro-2-methylpropionate;Propanoic acid, 2-fluoro-2-methyl-, ethyl ester;ETHYL 2-FLUOROISOBUTYRATE;Ethyl 2-fluoro-2-methylpropanoate
• CAS NO: 55816-69-8
• Molecular Formula: C₆H₁₁FO₂
• Molecular Weight: 134.15
• Mol File: 55816-69-8.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 122-126℃
• Appearance: /
• Density: 0.982±0.06 g/cm3(Predicted)
• Water Solubility: Not miscible or difficult to mix with water.
• CAS DataBase Reference: ETHYL 2-FLUOROISOBUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-FLUOROISOBUTYRATE(55816-69-8)
• EPA Substance Registry System: ETHYL 2-FLUOROISOBUTYRATE(55816-69-8)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 55816-69-8(Hazardous Substances Data)

Usage

Uses

Ethyl 2-fluoroisobutyrate is used as an active pharmaceutical ingredient.

Upstream product

• 600-00-0 ethyl 2-bromoisobutyrate 
• 513-85-9 2.3-butanediol 
• 80-55-7 ethyl 2-hydroxy-2,2-dimethylethanoate 
• 349-43-9 ethyl 2-fluoropropionate 
• 74-88-4 methyl iodide 

Downstream Products

• 3109-99-7 2-fluoro-2-methyl-propan-1-ol 
• 1205603-39-9 4-Fluoro-1-(4-fluoro-phenyl)-4-methyl-pentane-1,3-dione 
• 63812-15-7 2-fluoro-2-methylpropanoic acid 

Relevant articles and documents

Fluorinating agent and synthesis method thereof

The invention discloses a fluorinating agent, and also discloses a preparation method of the fluorinating agent, wherein an amide corresponding to the structural formula of the product reacts with a halogenating agent to obtain corresponding alpha, alpha-dihaloamine, and the alpha, alpha-dihaloamine reacts with a fluoride to obtain the corresponding fluorinating agent. The fluorinating agent has the advantages of being stable in storage and capable of fluorinating hydroxyl with high yield, the preparation method is simple, the adopted raw materials are easy to obtain, the synthesis yield is high, and the fluorinating efficiency of the obtained product is high.

Process for producing fluoro-compounds

The present invention provides a process for producing highly pure fluoro-compounds by making use of less costly and readily handleable N-(2-chloro-1,1,2-trifluoroethyl)diethylamine. The process produces little or no chlorinated by-products. Specifically

Fluorinating reactants and process for their preparation

alpha,alpha-Difluoroalkylamines (I) are new. Also new are mixtures (A) containing (a) a broader class of alpha,alpha-difluoroalkylamines (I'), (b) an aprotic tertiary amine having no fluoro atoms in the alpha-position relative to nitrogen and/or a N-heteroaromatic compound and (c) hydrogen fluoride; and some specific dichloro compound intermediates. alpha,alpha-Difluoroalkylamines of formula R1-CF2-NR2R3 (I) are new. R1 = H, 1-12C alkyl, ((2-12C) alkylene-O)n-(1-12C) alkyl, 4-15C aralkyl or 3-14C heteroaryl; n = 1-5; R2, R3 = 4-15C aralkyl or 1-12C alkyl; or R2 + R3 or R1 + R2 and/or R3 = group completing a 3-12C cyclic group; the compounds 1,1-difluoromethyl-N,N-dimethylamine, 1,1-difluoromethyl-N,N-diethylamine, 1,1-difluoromethyl-N,N-diisopropylamine and 1,1-difluoro-N,N-2-trimethyl-1-propanamine are excluded. Independent claims are included for: (a) new mixtures (A) comprising (a) alpha,alpha-difluoroalkylamines of formula R4-CF2-NR5R6 (I'), (b) at least one aprotic tertiary amine having no fluoro atoms in the alpha-position relative to the nitrogen and/or at least one N-heteroaromatic compound and (c) hydrogen fluoride; (b) the preparation of (I) and (A); and (c) the following new geminal dichloro compound intermediates: 1,1-dichloromethyl-N,N-dimethylamine, 1,1-dichloromethyl-N,N-diethylamine, 1,1-dichloromethyl-N,N-diisopropylamine, 1,1-dichloro-N,N-2-trimethyl-1-propanamine, 1,1-dichloro-N,N-2,2-tetramethyl-1-propanamine (VIa), N,N-diethyl-alpha,alpha-dichloro-2,2-dimethyl-1-propanamine, N-(1,1-dichloromethyl)-morpholine, 1,1-dichloro-N,N-dimethyl-phenylmethanamine, N,N-diethyl-alpha,alpha-dichloro-3-pyridyl-methanamine and 2,2-dichloro-1,3,3-trimethylpyrrolidine. R4 = H, 1-12C alkyl, ((2-12C) alkylene-O)n-(1-12C) alkyl, 3-14C aryl or NR7R8; n = 1-5; R7, R8 = 1-8C alkyl; or NR7R8 = 4-7 membered cyclic residue with a total of 3-12C; R5, R6 = 1-12C alkyl; or R5 + R6 or R4 + R5 and/or R6 = group completing a 4-12C cyclic group.