36740-10-0

Basic information

• Product Name: 4-OXO-4-PYRIDIN-3-YLBUTANENITRILE
• Synonyms: 3-pyridinebutanenitrile, gamma-oxo-; 4-Oxo-4-(3-pyridinyl)butanenitrile; 4-Oxo-4-(3-pyridinyl)butanonitril; 4-Oxo-4-(pyridin-3-yl)butanenitrile; 4-oxo-4-pyridin-3-ylbutanenitrile
• CAS NO: 36740-10-0
• Molecular Formula: C₉H₈N₂O
• Molecular Weight: 160.1726
• Mol File: 36740-10-0.mol

Chemical Properties

• Boiling Point: 370°Cat760mmHg
• Flash Point: 177.5°C
• Appearance: /
• Density: 1.139g/cm³
• Vapor Pressure: 1.14E-05mmHg at 25°C
• Refractive Index: 1.531
• CAS DataBase Reference: 4-OXO-4-PYRIDIN-3-YLBUTANENITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-OXO-4-PYRIDIN-3-YLBUTANENITRILE(36740-10-0)
• EPA Substance Registry System: 4-OXO-4-PYRIDIN-3-YLBUTANENITRILE(36740-10-0)

Safety Data

• Hazardous Substances Data: 36740-10-0(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
4-OXO-4-PYRIDIN-3-YLBUTANENITRILE is used as a key intermediate in organic synthesis for the preparation of a variety of chemical compounds. Its unique structure allows for further functionalization and modification, facilitating the creation of new molecules with specific properties and applications.
Used in Pharmaceutical Industry:
4-OXO-4-PYRIDIN-3-YLBUTANENITRILE is used as a building block for the development of pharmaceuticals. Its presence in the molecular structure of certain drugs can contribute to their therapeutic effects, making it an essential component in the design and synthesis of novel medications.
Used in Agrochemical Industry:
In the agrochemical sector, 4-OXO-4-PYRIDIN-3-YLBUTANENITRILE is utilized as a precursor in the synthesis of agrochemicals, such as pesticides and herbicides. Its incorporation into these products can enhance their efficacy in controlling pests and weeds, thereby improving crop yields and quality.
Used in Dye Manufacturing:
4-OXO-4-PYRIDIN-3-YLBUTANENITRILE is used as a starting material in the production of dyes. Its chemical properties enable the creation of dyes with specific color characteristics and stability, which are essential for various applications in textiles, plastics, and other industries.
Used in Chemical Product Development:
Beyond its applications in specific industries, 4-OXO-4-PYRIDIN-3-YLBUTANENITRILE is a valuable compound in the broader field of chemical product development. Its versatility allows for its use in the creation of a wide range of chemical products, from specialty chemicals to advanced materials, catering to diverse market needs.

InChI:InChI=1/C9H8N2O/c10-5-1-4-9(12)8-3-2-6-11-7-8/h2-3,6-7H,1,4H2

Upstream product

• 500-22-1 3-pyridinecarboxaldehyde 
• 107-13-1 acrylonitrile 
• 104501-58-8 1-Trimethylsilyloxy-1-(3-pyridyl)-ethene 
• 350-03-8 methyl-3-pyridylketone 
• 151-50-8 potassium cyanide 
• 6293-82-9 N,N-dimethyl-3-oxo-(3-pyridinyl)-1-propanamine hydrochloride 

Downstream Products

• 532-12-7 Myosmine 
• 5746-86-1 rac-nornicotine 

Relevant articles and documents

A PROCESS FOR THE PREPARATION OF NICOTINE

The present invention relates to a process for the preparation of racemic nicotine from 3- pyridylaldehyde using a one-pot or step-wise method. The process comprises the following steps: Stetter reaction, reduction-cyclisation and methylation.

Benzoyl radicals from (hetero)aromatic aldehydes. Decatungstate photocatalyzed synthesis of substituted aromatic ketones

Benzoyl radicals are generated directly from (hetero)aromatic aldehydes upon tetrabutylammonium decatungstate ((n-Bu4N)4W 10O32), TBADT) photocatalysis under mild conditions. In the presence of α,β-unsaturated e

Antibodies against 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone and metabolites thereof

The present invention relates to compounds, methods for their preparation, conjugates obtainable by coupling the compounds to immunogenic carriers, pharmaceutical compositions comprising the conjugates, the use of the conjugates for treating and/or preventing disorders associated with tobacco specific nitrosamine exposure, methods for the preparation of the conjugates, antibodies which can be obtained using the conjugates, a method for the preparation of the antibodies and a method of detecting 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), a metabolite or an adduct comprising a pyridyloxobutyl group derived from NNK, wherein the antibodies are employed. The present invention also relates to a method of detecting antibodies specific for NNK, non-detoxified metabolites or the above adducts thereof, wherein the conjugates are employed.

A New Simple Synthesis of Fusaric Acid and Other 5-Alkyl-2-pyridinecarboxylic Acids

Carboxamido groups are introduced into the 6-position of 3-acylpyridines with high regioselectivity via Minisci reaction with formamides, Fe(II) sulfate and tert-butyl hydroperoxide.The isolation procedure is considerably improved by the addition of citric acid for complexation of the Fe ions.Fusaric acid and other 5-alkyl-2-pyridine carboxylic acids are obtained by a following Wolff-Kishner reaction in 20-75percent overall yield.

Process for preparing ketones

Ketones are prepared by reacting an aromatic or heterocyclic aldehyde in the presence of a cyanide ion with an unsaturated compound having the formula (I): STR1 wherein R1, R2 and R3 are the same or different and are selected from the group of hydrogen, optionally substituted aliphatic, cycloaliphatic, araliphatic, aromatic, heterocyclic and carboxylic acid ester and R4 is nitrile (CN), --CO--R5 or --CO--OR5 wherein R5 is selected from the group of optionally substituted aliphatic, cycloaliphatic, araliphatic, aromatic and heterocyclic and R1 and R2 and/or R1 and R3 and/or R2 and R5 or R3 and R5 together with the carbon atoms to which they are attached as substituents may also form a carbocyclic or heterocyclic ring. Ketones prepared according to the process of the invention have the formula: STR2 wherein R1 ' and R3 ' are identical or different and are selected from the group of hydrogen, lower alkyl having up to 3 C-atoms and optionally substituted phenyl; and R6 ' is optionally substituted phenyl or a pyridyl.