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2-Pentafluorophenyl-malonic acid diethyl ester is a synthetic chemical compound with the molecular formula C13H10F5O4. It is a derivative of malonic acid, featuring a pentafluorophenyl group (a benzene ring with five fluorine atoms) attached to the 2-position of the malonic acid backbone. The diethyl ester functional group is present, indicating that the two carboxylic acid groups of malonic acid are esterified with ethanol. 2-Pentafluorophenyl-malonic acid diethyl ester is typically used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, owing to its unique electronic and steric properties that can influence the reactivity and selectivity of chemical reactions. It is an example of a fluorinated organic compound, which often exhibits different physical and chemical properties compared to their non-fluorinated counterparts, making it a valuable building block in the development of new molecules with specific therapeutic or pesticidal activities.

1582-05-4

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1582-05-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1582-05-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,5,8 and 2 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1582-05:
(6*1)+(5*5)+(4*8)+(3*2)+(2*0)+(1*5)=74
74 % 10 = 4
So 1582-05-4 is a valid CAS Registry Number.
InChI:InChI=1/C13H11F5O4/c1-3-21-12(19)6(13(20)22-4-2)5-7(14)9(16)11(18)10(17)8(5)15/h6H,3-4H2,1-2H3

1582-05-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name diethyl 2-(2,3,4,5,6-pentafluorophenyl)propanedioate

1.2 Other means of identification

Product number -
Other names EC-000.1817

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:1582-05-4 SDS

1582-05-4Relevant academic research and scientific papers

On the hydrolysis of diethyl 2-(perfluorophenyl)malonate

Kiskin, Mikhail A.,Taydakov, Ilya V.

, p. 1863 - 1868 (2020)

Diethyl 2-(perfluorophenyl)malonate was synthesized in 47% isolated yield by the reaction of sodium diethyl malonate and hexafluorobenzene. The resulting compound was considered as a starting material for synthesizing 2-(perfluorophenyl)malonic acid by hydrolysis. It was found that the desired 2-(perfluorophenyl)malonic acid could not be obtained from this ester by hydrolysis, neither under basic nor under acidic conditions. Nevertheless, hydrolysis of the ester with a mixture of HBr and AcOH gave 2-(perfluorophenyl)acetic acid in a good preparative yield of 63%. A significant advantage of this new approach to 2-(perfluoro-phenyl)acetic acid is that handling toxic substances such as cyanides and perfluorinated benzyl halides is avoided.

FACILE AND SELECTIVE PERFLUORO-AND POLYFLUOROARYLATION OF MELDRUMS ACID

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Sheet 3, (2016/04/10)

This disclosure relates generally to the facile and selective mono-perfluoro and polyfluoroarylation of Meldrum's acid to generate a versatile synthon for highly fluorinated alpha-phenyl acetic acid derivatives which provide straightforward access to fluorinated building blocks. The reaction takes place quickly and all products were isolated without the need for chromatography. An embodiment provides an alternative strategy to access alpha-arylated Meldrum's acids which avoids the need for aryl-Pb(IV) salts or diaryliodonium salts and provides access to the tertiary product which was not previously synthetically accessible. The synthetic versatility and utility of the Meldrum's acid products is demonstrated by subjecting the products to several derivatizations of the Meldrum's acid products as well as photocatalytic hydrodefluorination which provide access to difficult but valuable synthetic targets such as multifluorinated aromatics.

Pentafluorophenylazolopyrimidines

-

, (2008/06/13)

The novel compounds of formula I STR1 (A and R1 through R4 are defined in the specification) show selective fungicidal activity. The new compounds are obtainable by a new synthetic method and processed with carriers and adjuvants to

Pentafluorophenylazolopyrimidines

-

, (2008/06/13)

The novel compounds of formula I STR1 (A and R1 through R4 are defined in the specification) show selective fungicidal activity. The new compounds are obtainable by a new synthetic method and processed with carriers and adjuvants to

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