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Pentanoic acid, 5-cyano-, ethyl ester, also known as ethyl 5-cyanovalerate, is an organic compound with the chemical formula C7H11NO2. It is a derivative of pentanoic acid, featuring a cyano group (-CN) at the 5th carbon position and an ethyl ester group (-COOEt) attached to the carboxylic acid functional group. This colorless liquid is soluble in organic solvents and has a molecular weight of 141.17 g/mol. Ethyl 5-cyanovalerate is primarily used as a chemical intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals. It is also known for its potential applications in the production of fragrances and flavorings. Due to its reactivity, it is essential to handle Pentanoic acid, 5-cyano-, ethyl ester with care, following proper safety protocols.

4450-39-9

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4450-39-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 4450-39-9 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,5 and 0 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 4450-39:
(6*4)+(5*4)+(4*5)+(3*0)+(2*3)+(1*9)=79
79 % 10 = 9
So 4450-39-9 is a valid CAS Registry Number.

4450-39-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 5-cyanopentanoate

1.2 Other means of identification

Product number -
Other names ethyl 5-cyanovalerate

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:4450-39-9 SDS

4450-39-9Relevant academic research and scientific papers

Deboronative cyanation of potassium alkyltrifluoroborates: Via photoredox catalysis

Dai, Jian-Jun,Zhang, Wen-Man,Shu, Yong-Jin,Sun, Yu-Yang,Xu, Jun,Feng, Yi-Si,Xu, Hua-Jian

, p. 6793 - 6796 (2016/06/01)

A photoredox catalytic method was developed for the direct cyanation of alkyltrifluoroborates. This reaction provides a new and useful transformation of the easily available alkyltrifluoroborates. The photocatalytic reaction can tolerate a variety of functional groups with mild reaction conditions. Mechanistic investigations are consistent with the present reaction following a radical pathway.

Microwave-assisted aqueous Krapcho decarboxylation

Mason, Jeremy D.,Murphree, S. Shaun

supporting information, p. 1391 - 1394 (2013/07/26)

The Krapcho decarboxylation of alkyl malonate derivatives has been adapted to aqueous microwave conditions. Various salt additives were examined, and both the cation and the anion impacted the facility of the reaction. A strong correlation was found between the pKa of the anion and the reaction rate, suggesting a straightforward base-catalyzed hydrolysis. Lithium sulfate gave the best results, obviating the need for DMSO co-solvent. Georg Thieme Verlag Stuttgart · New York.

Synthesis of tetrazole analogues of phosphonohydroxamic acids: An attempt to improve the inhibitory activity against the DXR

Nguyen-Trung, Anh Thu,Tritsch, Denis,Grosdemange-Billiard, Catherine,Rohmer, Michel

supporting information, p. 1643 - 1647 (2013/04/10)

This work is focused on the design of new antimicrobial drugs and on the development of lipophilic inhibitors of the DXR, the second enzyme of the MEP pathway for the biosynthesis of isoprene units in most bacteria, by replacing the phosphonate group of fosmidomycin derivatives by a tetrazoyl moiety capable of multiple hydrogen bonding. The N- and C-substituted tetrazole analogues of phosphonohydroxamate inhibitors were synthesized and tested on the DXR of Escherichia coli. This work points out the hypothesis that the phosphonate/phosphate recognition site might be too rigid to accommodate other functional groups.

Cleavage of β-ketoesters via iminyl radicals - Application in the synthesis of a spirolactone

Sridar,Babu

, p. 323 - 330 (2007/10/03)

Reaction of Oximebenzoates of several β-ketoesters with tributyltin hydride show β-cleavage via an iminyl radical and application of this results in the synthesis of a spirolactone.

FUNCTIONAL GROUP-TOLERANT HYDROALKYLATION OF ELECTRON-DEFICIENT OLEFINS THROUGH COPPER(I)-CATALYZED PHOTOADDITION OF ORGANIC HALIDES FOLLOWED BY REDUCTION WITH ZINC

Mitani, Michiharu,Hirayama, Hiroyuki

, p. 1562 - 1572 (2007/10/02)

A method of accomplishing hydroalkylation of electron-deficient olefins which tolerates a variety of functional groups, in which organic halides and electron-deficient olefins are subjected to a photoreaction catalyzed by the CuBr-Bun3P complex followed by treatment with Zn dust in the presence of AcOH, has been developed.

Generation of β-Carbonyl Radicals from Cyclopropanol Derivatives by the Oxidation with Manganese(III) 2-Pyridinecarboxylate and Their Reactions with Electron-Rich and -Deficient Olefins

Iwasawa, Nobuharu,Hayakawa, Satoshi,Funahashi, Masahiro,Isobe, Koichi,Narasaka, Koichi

, p. 819 - 827 (2007/10/02)

Various β-carbonyl radicals are generated oxidatively from cyclopropanol derivatives by the use of manganese(III) 2-pyridinecarboxylate (Mn(pic)3).These β-carbonyl radicals react with electron-rich olefins such as conjugated silyl enol ethers, a ketene th

HYDROLYSIS IN THE ABSENCE OF BULK WATER 2. CHEMOSELECTIVE HYDROLYSIS OF NITRILES USING TETRAHALOPHTHALIC ACIDS

Rounds, William D.,Eaton, Jefferson T.,Urbanowicz, John H.,Gribble, Gordon W.

, p. 6557 - 6560 (2007/10/02)

The reaction of nitriles with tetrafluorophthalic or tetrachlorophthalic acid gives carboxylic acids in good yield.The reaction is chemoselective in that the nitrile functionality can be hydrolyzed in the presence of ester groups.

Synthesis of some monothienylalkyl esters of aliphatic dicarboxylic acids

Taits,Dudinov,Alashev,Gol'dfarb

, p. 138 - 141 (2007/10/05)

1. A. new method was developed for the synthesis of the half-esters of dicarboxylic acids. 2. Some members of the acid esters of acidophobic alcohols were synthesized, and specifically the mono-3-(2-thienyl)propyl ester of adipic acid and the mono-2-(2-thienyl)ethyl ester of pimelic acid.

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