101219-71-0

Basic information

• Product Name: Benzonitrile, 4-[(1S)-1-hydroxyethyl]- (9CI)
• Synonyms: Benzonitrile, 4-[(1S)-1-hydroxyethyl]- (9CI);(S)-1-(4-Cyanophenyl)ethanol4-(1S)-Hydroxyethylbenzonitrile;4-[1S]-HYDROXY ETHYL BENZOATE;(S)-1-(4-ISOCYANOPHENYL)ETHANOL;4-[(1S)-1-Hydroxyethyl]benzonitrile;(S)-1-(4-Cyanophenyl)ethanol;(S)-4-(1-Hydroxyethyl)benzonitrile;EOS-61703
• CAS NO: 101219-71-0
• Molecular Formula: C₉H₉NO
• Molecular Weight: 147.17386
• Product Categories: ACETYLGROUP;Alcohols, Hydroxy Esters and Derivatives;Chiral Compounds
• Mol File: 101219-71-0.mol
• Article Data: 181

Chemical Properties

• Boiling Point: 291.337 °C at 760 mmHg
• Flash Point: 129.996 °C
• Appearance: White solid
• Density: 1.124 g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.556
• Storage Temp.: 2-8°C
• PKA: 14.05±0.20(Predicted)
• CAS DataBase Reference: Benzonitrile, 4-[(1S)-1-hydroxyethyl]- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzonitrile, 4-[(1S)-1-hydroxyethyl]- (9CI)(101219-71-0)
• EPA Substance Registry System: Benzonitrile, 4-[(1S)-1-hydroxyethyl]- (9CI)(101219-71-0)

Safety Data

• Hazardous Substances Data: 101219-71-0(Hazardous Substances Data)

Usage

General Description

Benzonitrile, 4-[(1S)-1-hydroxyethyl]- (9CI) is a chemical compound categorized as an alcohol and a nitrile. It is derived from benzonitrile, a colorless liquid with a bitter almond odor. The 4-[(1S)-1-hydroxyethyl] moiety indicates the presence of a hydroxyethyl group attached to the fourth carbon of the benzonitrile ring. Benzonitrile, 4-[(1S)-1-hydroxyethyl]- (9CI) is utilized in various chemical and pharmaceutical applications due to its unique properties and structure. It may be used as an intermediate in the synthesis of other organic compounds or as a reagent in biochemical research. The specific characteristics and potential uses of this compound depend on its purity, concentration, and other factors.

InChI:InChI=1/C9H9NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,1H3/t7-/m0/s1

Upstream product

• 20099-89-2 4-Cyanophenacyl bromide 
• 159405-13-7 [(1R)-1-(4-cyanophenyl)ethyl] methanesulfonate 
• 82414-99-1 C₉H₈N⁽¹⁺⁾ 
• 18006-13-8 methyltriisopropoxytitanium(IV) 
• 105-07-7 4-cyanobenzaldehyde 
• 2747-38-8 methyltrichlorotitanium 
• 75-89-8 2,2,2-trifluoroethanol 
• 20488-11-3 4-(1-chloroethyl)benzonitrile 
• 64-19-7 acetic acid 
• 25309-65-3 4-ethylbenzonitrile 
• 67-56-1 methanol 
• 1443-80-7 4-cyanophenyl methyl ketone 
• 101219-69-6 4-(1-hydroxyethyl)benzonitrile 
• 917-54-4 methyllithium 

Downstream Products

• 101219-69-6 4-((R)-1-hydroxyethyl)benzonitrile 
• 101860-82-6 4-(1-bromoethyl)-benzonitrile 
• 1129-35-7 4-cyanobenzoic acid methyl ester 
• 60695-02-5 4-(1-oxo-3-phenylpropyl)benzonitrile 
• 619-65-8 4-cyanobenzoic Acid 
• 40577-05-7 N-methyl-N-[1-(4-cyanophenyl)ethyl]aniline 
• 586-89-0 4-acetyl-benzoic acid 
• 362052-00-4 2-(4-cyano-phenyl)-propionic acid 
• 823790-72-3 N-acetyl-1-(4'-cyanophenyl)ethenamine 

Relevant articles and documents

Cobalt(II)-catalyzed asymmetric hydrosilylation of simple ketones using dipyridylphosphine ligands in air

In the presence of PhSiH3 as the hydride donor, catalytic amounts of non-racemic dipyridylphosphine and an easy-to-handle cobalt salt Co(OAc)2·4H2O formed in situ an effective catalyst system for the asymmetric reduction o

Ruthenium-p-cymene Complex Side-Wall Covalently Bonded to Carbon Nanotubes as Efficient Hybrid Transfer Hydrogenation Catalyst

A half-sandwich ruthenium-p-cymene organometallic complex has been immobilized at Single Walled Carbon Nanotubes (SWNT) sidewalls through a stepwise covalent chemistry protocol. The introduction of amino groups by means of diazonium-chemistry protocols leads the grafting at the outer walls of the nanotubes. This hybrid material is active in the transfer hydrogenation of ketones to yield alcohols, using as hydrogen source 2-propanol. SWNT?NH2?Ru presents a broad scope, performing the reaction under aerobic conditions and can be recycled over 9 consecutive reaction runs without losing activity or leaching ruthenium out. Comparison of the activity with related homogeneous catalysts reveals an improved performance due to the covalent bond between the metal and the material, achieving turnover frequencies as high as 192774 h?1.

Reaction of Diisobutylaluminum Borohydride, a Binary Hydride, with Selected Organic Compounds Containing Representative Functional Groups

The binary hydride, diisobutylaluminum borohydride [(iBu)2AlBH4], synthesized from diisobutylaluminum hydride (DIBAL) and borane dimethyl sulfide (BMS) has shown great potential in reducing a variety of organic functional groups. This unique binary hydride, (iBu)2AlBH4, is readily synthesized, versatile, and simple to use. Aldehydes, ketones, esters, and epoxides are reduced very fast to the corresponding alcohols in essentially quantitative yields. This binary hydride can reduce tertiary amides rapidly to the corresponding amines at 25 °C in an efficient manner. Furthermore, nitriles are converted into the corresponding amines in essentially quantitative yields. These reactions occur under ambient conditions and are completed in an hour or less. The reduction products are isolated through a simple acid-base extraction and without the use of column chromatography. Further investigation showed that (iBu)2AlBH4 has the potential to be a selective hydride donor as shown through a series of competitive reactions. Similarities and differences between (iBu)2AlBH4, DIBAL, and BMS are discussed.