30611-20-2

Basic information

• Product Name: 4-PENTANOYL-BENZONITRILE
• Synonyms: 4-PENTANOYL-BENZONITRILE
• CAS NO: 30611-20-2
• Molecular Formula: C₁₂H₁₃NO
• Molecular Weight: 187.23772
• Mol File: 30611-20-2.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 331.8°C at 760 mmHg
• Flash Point: 154.5°C
• Appearance: /
• Density: 1.04g/cm³
• Vapor Pressure: 0.000152mmHg at 25°C
• Refractive Index: 1.521
• CAS DataBase Reference: 4-PENTANOYL-BENZONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-PENTANOYL-BENZONITRILE(30611-20-2)
• EPA Substance Registry System: 4-PENTANOYL-BENZONITRILE(30611-20-2)

Safety Data

• Hazardous Substances Data: 30611-20-2(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 42, p. 1194, 1977 DOI: 10.1021/jo00427a020

InChI:InChI=1/C12H13NO/c1-2-3-4-12(14)11-7-5-10(9-13)6-8-11/h5-8H,2-4H2,1H3

Upstream product

• 709-24-0 1-(4-fluorophenyl)-1-pentanone 
• 143-33-9 sodium cyanide 
• 462-06-6 fluorobenzene 
• 201230-82-2 carbon monoxide 
• 623-00-7 4-bromobenzenecarbonitrile 
• 15676-66-1 tri-n-butylindium 
• 3058-39-7 4-iodobenzonitrile 
• 6068-72-0 4-cyanobenzoyl chlorIde 
• 110-62-3 pentanal 
• 693-03-8 n-butyl magnesium bromide 
• 24167-50-8 4-cyano-N,N-dimethylbenzamide 
• 108-86-1 bromobenzene 
• 78348-96-6 4-(1-Hydroxy-pentyl)-benzonitrile 
• 638-29-9 n-valeryl chloride 

Downstream Products

• 1443-80-7 4-cyanophenyl methyl ketone 
• 79784-62-6 p-valerylbenzoic acid 
• 30611-21-3 benzoic acid 4-(1-oxopentyl)methyl ester 
• 7153-22-2 ethyl 4-cyanobenzoate 
• 360-34-9 1,1,1-trifluoro-2-hexanone 
• 1032818-98-6 4-(2-phenylpentanoyl)benzonitrile 
• 30611-26-8 1-(4-hydroxymethylphenyl)pentan-1-one 

Relevant articles and documents

The metabolism of pyrovalerone hydrochloride.

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A phosphine-free, atom-efficient cross-coupling reaction of triorganoindiums with acyl chlorides catalyzed by immobilization of palladium(0) in MCM-41

The first phosphine-free heterogeneous palladium(0)-catalyzed cross-coupling of triorganoindiums with acyl chlorides has been developed that proceeds smoothly in THF at 68 °C and provides a general and powerful tool for the synthesis of various valuable aryl ketones and α,β-acetylenic ketones with high atom-economy and high yield. This phosphine-free heterogeneous palladium(0) catalyst can be easily prepared from commercially available reagents and recovered by a simple filtration of the reaction solution and used for at least 10 consecutive trials without any decreases in activity. Our system not only avoids the use of phosphine ligands, but also solves the basic problem of palladium catalyst recovery and reuse.

A general method for the direct transformation of common tertiary amides into ketones and amines by addition of Grignard reagents

The direct transformation of amides into ketones by addition of organometallic reagents has attracted the attention of organic chemists for a long time. However limited methods are reliable for common amides and have found synthetic applications. Here we report a method featuring in situ activation of tertiary amides with triflic anhydride (Tf2O) followed by addition of Grignard reagents. The method displays a good generality in scope for both amides and Grignard reagents, and it can be viewed as the acylation of Grignard reagents using amides as stable and selective acylating agents. Moreover, this deaminative alkylation reaction provides a mild method for the N-Deacylation of amides to give free amines.