898752-22-2

Basic information

• Product Name: ETHYL 4-(3,4-DIFLUOROPHENYL)-4-OXOBUTYRATE
• Synonyms: ETHYL 4-(3,4-DIFLUOROPHENYL)-4-OXOBUTYRATE
• CAS NO: 898752-22-2
• Molecular Formula: C12H12F2O3
• Molecular Weight: 242.22
• Mol File: 898752-22-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 333.6°C at 760 mmHg
• Flash Point: 150.4°C
• Appearance: /
• Density: 1.217g/cm³
• Vapor Pressure: 0.000135mmHg at 25°C
• Refractive Index: 1.48
• CAS DataBase Reference: ETHYL 4-(3,4-DIFLUOROPHENYL)-4-OXOBUTYRATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 4-(3,4-DIFLUOROPHENYL)-4-OXOBUTYRATE(898752-22-2)
• EPA Substance Registry System: ETHYL 4-(3,4-DIFLUOROPHENYL)-4-OXOBUTYRATE(898752-22-2)

Safety Data

• Hazardous Substances Data: 898752-22-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H12F2O3/c1-2-17-12(16)6-5-11(15)8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3

Upstream product

• 1070-34-4 butanedioic acid, monoethyl ester 
• 14794-31-1 ethyl 3-(chloroformyl)propionate 
• 367-11-3 ortho-difluorobenzene 

Downstream Products

• 1006614-49-8 (1R,2S)-2-(3,4-difluorophenyl)cyclopropanamine 
• 1006376-61-9 (1R,2R)-2-(3,4-difluorophenyl)-1-cyclopropanecarboxylic acid ethyl ester 
• 1006376-62-0 (1R,2R)-trans-2(3,4-difluorophenyl)cyclopropyl carboxamide 

Relevant articles and documents

Intermediate for standard auspicious Luo river (1R, 2S) - 2 - (2,3-difluorophenyl) method for the preparation of cyclopropylamines (by machine translation)

The invention discloses a method for preparing ticagrelor midbody (1R,2S)-2-(2,3-difluorophenyl) cyclopropylamine, belonging to the technical fields of organic synthesis route design and preparation of raw material medicines and midbodies. The method comprises the following steps: performing alcoholysis on succinic anhydride, thereby obtaining mono-methyl succinate, performing acylating chlorination reaction on mono-methyl succinate, thereby obtaining a compound methyl 4-chloro-4-oxobutyrate, performing Fridel-Crafts reaction on methyl 4-chloro-4-oxobutyrate and o-difluorobenzene, thereby obtaining a compound methyl 4-ketone-4-(3,4-difluorophenyl) butyrate (IV), and further performing asymmetric reduction reaction, cyclization reaction and Hoffman degradation on the compound IV, thereby obtaining the compound (1R,2S)-2-(2,3-difluorophenyl) cyclopropylamine. Initial raw materials used in the method are low in cost and easy to obtain, the reaction condition is gentle, the operation is safe, simple and convenient, the environment pollution is small, and the key ticagrelor midbody prepared by using the method is simple and convenient in after treatment, and is beneficial to on-scale production.