2063-17-4

Basic information

• Product Name: BUTANOIC ACID, 4-CHLORO-4,4-DIFLUORO-3-OXO, -ETHYL ESTER
• Synonyms: BUTANOIC ACID, 4-CHLORO-4,4-DIFLUORO-3-OXO, -ETHYL ESTER;ETHYL 4-CHLORO-4,4-DIFLUOROACETOACETATE;Ethyl 4-chloro-4,4-difluoro-3-oxobutyrate
• CAS NO: 2063-17-4
• Molecular Formula: C₆H₇ClF₂O₃
• Molecular Weight: 200.57
• Mol File: 2063-17-4.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 103℃ (93 Torr)
• Appearance: /
• CAS DataBase Reference: BUTANOIC ACID, 4-CHLORO-4,4-DIFLUORO-3-OXO, -ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: BUTANOIC ACID, 4-CHLORO-4,4-DIFLUORO-3-OXO, -ETHYL ESTER(2063-17-4)
• EPA Substance Registry System: BUTANOIC ACID, 4-CHLORO-4,4-DIFLUORO-3-OXO, -ETHYL ESTER(2063-17-4)

Safety Data

• Hazardous Substances Data: 2063-17-4(Hazardous Substances Data)

Usage

General Description

BUTANOIC ACID, 4-CHLORO-4,4-DIFLUORO-3-OXO, -ETHYL ESTER is a chemical compound composed of butanoic acid, 4-chloro-4,4-difluoro-3-oxo, and ethyl ester. It is commonly used as a flavoring agent in the food industry due to its pleasant aroma and taste, which is often described as buttery or cheesy. It is also utilized in the production of perfumes, as well as in the manufacturing of pharmaceuticals and other chemical products. BUTANOIC ACID, 4-CHLORO-4,4-DIFLUORO-3-OXO, -ETHYL ESTER can be hazardous if not handled properly, and exposure to high concentrations may cause irritation to the skin, eyes, and respiratory system. Therefore, it is essential to use appropriate safety precautions and handling procedures when working with this chemical.

Upstream product

• 1514-87-0 metyhyl chlorodifluoroacetate 
• 141-78-6 ethyl acetate 
• 463-51-4 Ketene 
• 354-24-5 chlordifluoroacetyl chloride 
• 383-62-0 ethyl 2-chloro-2,2-difluoroacetate 
• 64-17-5 ethanol 
• 1118500-61-0 difluorochloroacetylacetic acid chloride 
• 76-04-0 2-chloro-2,2-difluoroacetic acid 

Downstream Products

• 352-24-9 ethyl 4,4-difluoro-3-oxobutyrate 
• 1350908-60-9 4-[(chloro)(difluoro)methyl]-3-methyl-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4 b]pyridin-6-one 
• 1350908-62-1 4-[(chloro)(difluoro)methyl]-3-methyl-1-(4-methoxybenzyl)-6,7-dihydro-1H-pyrazolo[3,4 b]pyridin-6-one 
• 1350908-61-0 4-[(chloro)(difluoro)methyl]-1-(4-fluorophenyl)-3 methyl-6,7-dihydro-1H-pyrazolo[3,4 b]pyridin-6-one 
• 141573-95-7 ethyl 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate 
• 1227418-25-8 C₁₂H₇ClF₂N₄O 

Relevant articles and documents

PYRIMIDINEDIONE DERIVATIVES

The present invention covers pyrimidinedione derivatives of general formula (I) : (I), in which R1, R2, R4, R5 and X are as defined herein, methods of preparing said compounds, intermediate compounds useful for

An atom-efficient route to ethyl 3-(difluoromethyl)-1-methyl-1 H-pyrazole-4-carboxylate (DFMMP)-A key building block for a novel fungicide family

A growing number of fluorine-containing active ingredients in the pharmaceutical and agrochemical industries inevitably raises the demand for new fluorinated building blocks. Their availability is mainly constricted by suitable chemistry and available bulk fluorine containing starting materials. Because of the high cost impact especially in the agrochemical industry, the choice of a synthetic route is heavily driven by economic aspects; thus, the environmental profile often is handled as a "secondary factor" or finally falls aside. DFMMP is a key building block for a fast growing new fungicide family, like Syngenta's Sedaxane, and BASF's Fluxapyroxad and Bayer's Bixafen currently made by environmetally less friendly routes. Herein we present a cost-competitive and green route, developed at Solvay laboratories, displaying significantly lower environmental impact.

Synthesis of new fluorine-containing pyrazolo[3,4-b]pyridinones as promising drug precursors

Methods for the synthesis of 4-R-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-6- ones (R = CF2SAr and 4-CFHSAr) were developed. The derivatives with R = CF2SAr were obtained by both heterocyclization of 1-substituted 5-aminopyrazoles with ethyl 4,4-difluoro-3-oxo-4-phenylsulfanylbutanoate and replacement of the Br atom in 4-bromodifluoromethyl-6,7-dihydro-1H-pyrazolo[3,4- b]pyridin-6-ones by sodium arenethiolates. The fragment 4-CF-HSAr was introduced by replacement of the Cl atom in 4-chlorofluoromethyl-6,7-dihydro-1H- pyrazolo[3,4-b]pyridin-6-ones by sodium arenethiolates. Oxidation of 4-CF 2SPh-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ones gave the corresponding sulfoxides; their structures were confirmed by X-ray diffraction data.