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4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER, with the molecular formula C8H11F3O3, is a fluorinated derivative of a butyric acid ester. This chemical compound is recognized for its potent insecticidal and fungicidal properties, which make it a valuable asset in various industries, particularly in agriculture. It is also utilized as an intermediate in the synthesis of pharmaceuticals and agrochemicals, and in the manufacturing of specialty chemicals. Due to its high reactivity, it requires careful handling to prevent potential health risks.

10556-91-9

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10556-91-9 Usage

Uses

Used in Pharmaceutical Industry:
4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs with enhanced properties.
Used in Agrochemical Industry:
In the agrochemical industry, 4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER is used as an active ingredient in insecticides and fungicides due to its potent biocidal properties, which help protect crops from pests and diseases.
Used in Specialty Chemicals Manufacturing:
4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER is used as a component in the manufacturing of specialty chemicals, where its unique properties can be leveraged to create high-value products with specific applications.
Used as a Solvent in Industrial Processes:
4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER is also used as a solvent in certain industrial processes, where its reactivity and chemical properties are beneficial for specific reactions or processes.
Used in Chemical Research:
4,4,4-TRIFLUORO-2-PROPYL-3-OXOBUTYRIC ACID ETHYL ESTER is utilized in chemical research for studying the effects of fluorination on the properties of organic compounds and for developing new methodologies in organic synthesis.

Check Digit Verification of cas no

The CAS Registry Mumber 10556-91-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,5,5 and 6 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 10556-91:
(7*1)+(6*0)+(5*5)+(4*5)+(3*6)+(2*9)+(1*1)=89
89 % 10 = 9
So 10556-91-9 is a valid CAS Registry Number.
InChI:InChI=1/C9H13F3O3/c1-3-5-6(8(14)15-4-2)7(13)9(10,11)12/h6H,3-5H2,1-2H3

10556-91-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 2-(2,2,2-trifluoroacetyl)pentanoate

1.2 Other means of identification

Product number -
Other names propyl-2 trifluoroacetylacetate d'ethyle

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:10556-91-9 SDS

10556-91-9Downstream Products

10556-91-9Relevant academic research and scientific papers

Alkylation of Ethyl 4,4,4-Trifluoroacetoacetate. First Example of a Reversible O-Alkylation Process leading to C-Alkylation

Begue, Jean-Pierre,Charpentier-Morize, Micheline,Nee, Gerard

, p. 83 - 84 (1989)

In aprotic polar solvents the ratio of O vs.C alkylation products of ethyl 4,4,4-trifluoroacetoacetate (ETFAA) can be dependent on reaction time; in hexamethylphosphoric triamide (HMPA) or acetone, the SN2 cleavage of enol ethers of ETFAA with sodium iodide was observed with concomitant formation of the sodium enolate and the corresponding iodides, and in the case of an activated iodide the mono- and di-alkylation products resulted quantitavely.

ALKYLATION DU TRIFLUOROACETYLACETATE D'ETHYLE METHODE GENERALE D'ACCES AUX TRIFLUOROMETHYLCETONES. 2eme PARTIE: ALKYLATIONS INDIRECTS DU TFAAE

Aubert, Corinne,Begue, Jean-Pierre,Charpentier-Morize, Micheline,Nee, Gerard,Langlois, Bernard

, p. 377 - 394 (2007/10/02)

A versatile method of alkylation of ethyltrifluoroacetylacetate (ETFAA) allowed selective C-alkylation of ETFAA, whatever the structure of alkyl halide was, providing that the carbonyl function was masked into a dioxolan 3 or a N,N-dimethyl hydrazone 5.These last derivatives were easily alkylated and their specific deprotection led to various C-alkylated ETFAA which in turn allowed, by a simple decarbethoxylation, the preparation of the corresponding trifluoromethyl ketones in good yields.

METHODE GENERALE D'ACCES AUX TRIFLUOROMETHYLCETONES. 1ere PARTIE: ALKYLATION DIRECTE DU TRIFLUOROACETYLACETATE D'ETHYLE

Aubert, Corinne,Begue, Jean-Pierre,Charpentier-Morize, Micheline,Nee, Gerard,Langlois, Bernard

, p. 361 - 376 (2007/10/02)

Alkylation of Ethyl 4,4,4 trifluoroacetylacetate (ETFAA) 1 by alkyl halides presented some typical features.The reaction was very slow and led preferentially to O-alkylated products.However, with activated halides and under some peculiar conditions, it was possible to obtain selectively C-alkylated products 3 and 4 in good yields.

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