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2,4-DIMETHYLVALERONITRILE, with the molecular formula C7H13N, is a colorless to pale yellow liquid that exhibits a faint odor. It is a versatile chemical compound used as an intermediate in the synthesis of various organic compounds, particularly in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Its properties make it a valuable component in the manufacturing of a wide range of industrial and agricultural products. However, due to its potential harmful effects if ingested, inhaled, or in contact with the skin, it is crucial to handle 2,4-DIMETHYLVALERONITRILE with care.

6339-13-5

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6339-13-5 Usage

Uses

Used in Pharmaceutical Industry:
2,4-DIMETHYLVALERONITRILE is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs and enhance the production process of existing ones.
Used in Agrochemical Industry:
2,4-DIMETHYLVALERONITRILE is used as a starting material for the production of insecticides and herbicides, playing a crucial role in the development of effective pest control solutions in agriculture.
Used in Fine Chemicals Production:
2,4-DIMETHYLVALERONITRILE is utilized as an intermediate in the manufacturing of fine chemicals, contributing to the creation of high-quality specialty products for various applications.
Used in Organic Compounds Synthesis:
2,4-DIMETHYLVALERONITRILE is employed as a versatile building block in the synthesis of a wide range of organic compounds, showcasing its importance in the chemical industry for creating diverse chemical entities.

Check Digit Verification of cas no

The CAS Registry Mumber 6339-13-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 6,3,3 and 9 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 6339-13:
(6*6)+(5*3)+(4*3)+(3*9)+(2*1)+(1*3)=95
95 % 10 = 5
So 6339-13-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H11N/c1-3-4-6(2)5-7/h6H,3-4H2,1-2H3

6339-13-5SDS

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 2,4-DIMETHYLVALERONITRILE

1.2 Other means of identification

Product number -
Other names 2-methyl-valeric acid-(2-methyl-pentyl ester)

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:6339-13-5 SDS

6339-13-5Downstream Products

6339-13-5Relevant academic research and scientific papers

A facile one-pot conversion of aldehydes into nitriles

Chill, Samuel T.,Mebane, Robert C.

scheme or table, p. 3601 - 3606 (2009/12/04)

A facile one-pot synthesis of nitriles starting with aldehydes has been developed employing hydroxylamine hydrochloride in dimethylsulfoxide at 100C.

Quantitative α-alkylation of primary nitriles

Rojas, Giovanni,Baughman, Travis W.,Wagener, Kenneth B.

, p. 3923 - 3931 (2008/03/14)

A synthetic pathway that produces alkyl α,ω-cyanodiolefins in quantitative yield is described, applying chemistry that is based on simple α-alkylation of alkyl nitriles. Three amide bases, lithium 2,2,6,6-tetramethylpiperidide, lithium diisopropylamide, and sodium amide, are used to create the α-carbanions that undergo substitution with various alkylating agents. Optimization leads to essentially quantitative conversions for every substrate/example reported herein, which will prove useful in many synthetic schemes. Copyright Taylor & Francis Group, LLC.

Highly Convenient, One-Pot Synthesis of Nitriles from Aldehydes Using the NH2OH·HCl/NaI/MeCN System

Ballini, Roberto,Fiorini, Dennis,Palmieri, Alessandro

, p. 1841 - 1843 (2007/10/03)

Direct transformation of both aliphatic and aromatic aldehydes to the corresponding nitriles, can be easily performed by the reaction of an aldehyde with a slight excess of hydroxylamine hydrochloride, in refluxing acetonitrile and in the presence of 0.5 equivalents of sodium iodide as catalyst.

Hydrogen peroxide oxidation of N,N-dimethylhydrazones promoted by selenium compounds, titanosilicalites or acetonitrile

Giurg,Mlochowski,Ambrozak

, p. 1713 - 1720 (2007/10/03)

Hydrogen peroxide oxidation of N,N-dimethylhydrazones 1 promoted by title reagents has been investigated. Depending on the substrate nitrile 2 and/or amide 3 accompanied with carboxylic acid 4 and parent carbonyl compounds 5 were obtained. Formation of nitriles 2 with H2O2-acetonitrile system is limited for a few more active substrates. The mechanism of the reaction, based on generated in situ peroxyiminoacetic acid, is presented. A broad spectrum of aliphatic, unsaturated and aromatic nitriles 2 was obtained by oxidation of corresponding N,N-dimethylhydrazones 1 with hydrogen peroxide in the presence of poly(bis-9,10-anthracenyl) diselenide (PADS) (7) as catalyst.

Methylation of organic compounds

-

, (2008/06/13)

Methyl compounds are prepared from carbon acids by reaction with dimethyl carbonate in the presence of a nitrogen-containing base.

Substituent Effects on the C-C-Bond Strength, 2. The Thermal Stability of Tetrasubstituted Succinonitriles

Barbe, Werner,Beckhaus, Hans-Dieter,Ruechardt, Christoph

, p. 1042 - 1057 (2007/10/02)

Rate constants and activation parameters for the thermolysis reaction of ten, partly cyclic tetraalkylsuccinonitriles and of meso-2,3-dimethyl-2,3-diphenylsuccinonitrile were determined.Relationships between ΔG* (300 deg C), ΔH* and ΔS* of the thermolysis reaction on the one hand and the change in strain enthalpy during bond dissociation on the other are pointed out.A force field procedure for the estimation of the strain in α-cyanoalkyl radicals is presented.A quantitative separation of the steric and resonance effects responsible for the thermal dissociation pro cess was achieved successfully.A resonance energy of 5.3 kcal*mol-1 was deduced for tertiary α-cyanoalkyl radicals in agreement with the most recent literature data.

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