5558-78-1

Basic information

• Product Name: ALPHA-PROPYLPHENYLACETONITRILE
• Synonyms: A-PROPYLPHENYLACETONITRILE;2-PHENYLPENTANONITRILE;2-PHENYLVALERONITRILE;ALPHA-PROPYLPHENYLACETONITRILE;TIMTEC-BB SBB007788;2-Phenylpentanenitrile;Benzeneacetonitrile, alpha-propyl-
• CAS NO: 5558-78-1
• Molecular Formula: C₁₁H₁₃N
• Molecular Weight: 159.23
• Mol File: 5558-78-1.mol
• Article Data: 24

Chemical Properties

• Boiling Point: 274.74°C (rough estimate)
• Flash Point: 112.7 °C
• Appearance: /
• Density: 0.9425
• Vapor Pressure: 0.0165mmHg at 25°C
• Refractive Index: 1.5466 (estimate)
• CAS DataBase Reference: ALPHA-PROPYLPHENYLACETONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: ALPHA-PROPYLPHENYLACETONITRILE(5558-78-1)
• EPA Substance Registry System: ALPHA-PROPYLPHENYLACETONITRILE(5558-78-1)

Safety Data

• Hazardous Substances Data: 5558-78-1(Hazardous Substances Data)

Usage

Synthesis Reference(s)

The Journal of Organic Chemistry, 37, p. 526, 1972 DOI: 10.1021/jo00968a054

InChI:InChI=1/C11H13N/c1-2-6-11(9-12)10-7-4-3-5-8-10/h3-5,7-8,11H,2,6H2,1H3

Upstream product

• 140-29-4 phenylacetonitrile 
• 106-94-5 propyl bromide 
• 107-08-4 1-iodo-propane 
• 61066-82-8 2-(Butyryloxy)-2-phenylethannitril 
• 83961-20-0 Phenyl-propyl-cyanessigsaeureethylester 
• 598-52-7 1-(methyl)-thiourea 
• 110-59-8 pentanonitrile 
• 164594-13-2 Phenyl[2-(trimethylsilyl)phenyl]iodonium trifluoromethanesulfonate 
• 824-90-8 1-phenylbut-1-ene 
• 75-86-5 2-hydroxy-2-methylpropanenitrile 
• 100-42-5 styrene 
• 7677-24-9 trimethylsilyl cyanide 
• 123-38-6 propionaldehyde 
• 768-56-9 4-Phenylbut-1-ene 

Downstream Products

• 3400-64-4 opt.-inakt. 2-Aethyl-3-cyan-3-phenyl-hexanal-diaethylacetal 
• 3400-67-7 opt.-inakt. 3-Cyan-3-phenyl-2-propyl-hexanal-diaethylacetal 
• 33146-48-4 2-[4-(4-Chloro-benzoyl)-phenyl]-2-phenyl-pentanenitrile 
• 33092-38-5 2-(2-Benzoyl-4-nitro-phenyl)-2-phenyl-pentanenitrile 
• 3400-71-3 opt.-inakt. 2-Butyl-3-cyan-3-phenyl-hexanal-diaethylacetal 
• 15144-43-1 2-n-Propyl-2-phenyl-5-chlor-pentannitril 
• 15144-51-1 2,6-Di-n-propyl-2,6-diphenyl-pimelinsaeure-dinitril 
• 2672-98-2 Α-Methyl-Β-propyl-Β-cyan-hydrozimtsaeure-aethylester 
• 7782-25-4 (S)-(+)-2-phenylvaleric acid 
• 342790-12-9 (5,10,15,20-tetra(2,4,6-trimethylphenyl)porphyrinato)rhodium(III) ethyl 
• 940002-36-8 propyl(5,10,15,20-tetramesitylporphyrinato)rhodium(III) 
• 1505-76-6 1-Aethoxy-4-amino-3-phenyl-3-propyl-pentan 
• 1505-78-8 4-Hydroxy-3-methyl-2-phenyl-2-propyl-butylamin 
• 1505-77-7 1-Ethoxy-4-imino-3-phenyl-3-propyl-pentan 

Relevant articles and documents

Sonocatalyzed synthesis of 2-phenylvaleronitrile under controlled reaction conditions - A kinetic study

In the current study, kinetics of synthesis of 2-phenylvaleronitrile (PVN) was successfully carried out by selective C-alkylation of benzyl cyanide (BC) with n-bromopropane (BP) using aqueous KOH and catalyzed by TBAB under ultrasonic (300 W) assisted org

Ni-Catalyzed Isomerization-Hydrocyanation Tandem Reactions: Access to Linear Nitriles from Aliphatic Internal Olefins

A highly regioselective nickel-based catalyst system for the isomerization/hydrocyanation of aliphatic internal olefins is described. This benign tandem reaction provides facile access to a wide variety of aliphatic nitriles in good yields with excellent regioselectivities. Thanks to Lewis acid-free conditions, the protocol features board functional groups tolerance, including secondary amine and unprotected alcohol groups.

Ni-Catalyzed hydrocyanation of alkenes with formamide as the cyano source

CN generation from formamide dehydration! A novel Ni-catalyzed hydrocyanation of various alkenes to provide aliphatic nitriles is developed by generating hydrocyanic acid in situ from safe and readily available formamide. Excellent linear or branched regio-selectivity, wide substrate scope, cheap and stable nickel salt as a pre-catalyst, a safe cyano source, slow generation of CN to obviate catalyst deactivation and convenient experimental operation would render this hydrocyanation attactive for laboratory synthesis of aliphatic nitriles.