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2-Cyano-3-butanone, also known as ethyl cyanoacetate, is a colorless liquid chemical compound with the molecular formula C5H7NO. It possesses a fruity odor and is recognized for its versatility in organic chemistry, serving as a building block in the synthesis of various compounds such as esters, amides, and carboxylic acids. Due to its flammable nature and potential for harm if ingested or inhaled, careful handling is required.

4468-47-7

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4468-47-7 Usage

Uses

Used in the Food Industry:
2-Cyano-3-butanone is used as a flavoring agent for its distinctive fruity aroma, enhancing the taste and appeal of various food products.
Used in Pharmaceutical Synthesis:
As an intermediate, 2-Cyano-3-butanone plays a crucial role in the synthesis of pharmaceuticals, contributing to the development of new medications and therapeutic agents.
Used in Agrochemical Production:
2-CYANO-3-BUTANONE is also utilized as an intermediate in the production of agrochemicals, aiding in the creation of substances that protect and enhance crop yields.
Used in Organic Chemistry as a Building Block:
2-Cyano-3-butanone is employed in the synthesis of a wide range of organic compounds, showcasing its versatility and importance in the field of organic chemistry.
Used as a Solvent:
In various chemical processes, 2-Cyano-3-butanone serves as a solvent, facilitating reactions and improving the efficiency of chemical syntheses.
Used as a Reagent in Organic Synthesis Reactions:
2-CYANO-3-BUTANONE functions as a reagent in numerous organic synthesis reactions, enabling the formation of complex molecules and contributing to the advancement of chemical research and development.

Check Digit Verification of cas no

The CAS Registry Mumber 4468-47-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,4,6 and 8 respectively; the second part has 2 digits, 4 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 4468-47:
(6*4)+(5*4)+(4*6)+(3*8)+(2*4)+(1*7)=107
107 % 10 = 7
So 4468-47-7 is a valid CAS Registry Number.

4468-47-7SDS

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 2-methyl-3-oxobutanenitrile

1.2 Other means of identification

Product number -
Other names 3-CYANO-2-BUTANONE

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:4468-47-7 SDS

4468-47-7Relevant academic research and scientific papers

Synthesis and biological evaluation of 4′-[(benzimidazole-1-yl) methyl]biphenyl-2-sulfonamide derivatives as dual angiotensin II/endothelin A receptor antagonists

Bai, Renren,Wei, Zhen,Liu, Jie,Xie, Weijia,Yao, Hequan,Wu, Xiaoming,Jiang, Jieyun,Wang, Qiujuan,Xu, Jinyi

experimental part, p. 4661 - 4667 (2012/09/07)

A series of 4′-[(benzimidazole-1-yl)methyl]biphenyl-2-sulfonamide derivatives (Ia-Il) were synthesized and biologically evaluated. It was found that Ig, the most active compound, antagonized both Ang II AT1 and endothelin ETA receptors (AT1 IC50 = 8.5, ETA IC50 = 8.9 nM), and was more potent than losartan in RHRs with no significant effect on heart rate. The preliminary structure-activity relationships were also discussed in the present paper.

Process for poducing beta-oxonitrile compound or alkali metal salt thereof

-

Page 2-3, (2008/06/13)

The present invention relates to a process for preparing a β-oxonitrile compound or an alkali metal salt thereof which comprises reacting a carboxylic ester represented by the formula (1): R1CO2R2??(1) wherein R1 /su

Synthesis of 3-Oxo-8-oxabicyclooct-6-ene-2-carbonitriles from γ-Bromo-β-oxonitriles and Furan via Cycloaddition of 1-Cyanoallylium-2-olates

Foehlisch, Baldur,Herter, Rolf,Wolf, Elisabeth,Stezowski, John J.,Eckle, Emil

, p. 355 - 380 (2007/10/02)

Some γ-bromo-β-oxonitriles 3 react with furan in the presence of silver oxide to form stereoselectively the title compounds 7.Satisfying yields are obtained only with those bromides 3, whose γ-carbon is tertiary or which are monoalkylated both at the α- and γ-carbon atoms.The results are explained by a cycloaddition of 1-cyanoallylium-2-olate intermediates (14) to the 1,3-diene system of the furan.With cyclic γ-bromo-β-oxonitriles (6) two types of cycloadducts were observed: 3-bromo-3-methyl-2-oxocyclohexanecarbonitrile (6b) and 3-bromo-2-oxocyclododecanecarbonitrile (6d) form the tricyclic cycloadduts 10b and d, analogs of the bicyclic adducts 7.With 3-bromo-2-oxocyclohexanecarbonitrile (6a) and 3-bromo-5-tert-butyl-2-oxocyclohexanecarbonitrile (6e), however, the carbonyl oxygen is connected with an α-carbon of the furan to give the tricyclic cycloadducts 12Aa and Ae.The structure endo-2,endo-4-dimethyl-3-oxo-8-oxabicyclooct-6-ene-exo-2-carbonitrile (7eα) was determined by X-ray analysis.

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