68527-72-0

Basic information

• Product Name: 2-(1,1-Dimethylethyl)benzonitrile
• Synonyms: 2-(1,1-Dimethylethyl)benzonitrile
• CAS NO: 68527-72-0
• Molecular Formula: C₁₁H₁₃N
• Molecular Weight: 159.2276
• Mol File: 68527-72-0.mol
• Article Data: 9

Chemical Properties

• Boiling Point: 251.3°Cat760mmHg
• Flash Point: 105.8°C
• Appearance: /
• Density: 0.95g/cm³
• Vapor Pressure: 0.0206mmHg at 25°C
• Refractive Index: 1.512
• CAS DataBase Reference: 2-(1,1-Dimethylethyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(1,1-Dimethylethyl)benzonitrile(68527-72-0)
• EPA Substance Registry System: 2-(1,1-Dimethylethyl)benzonitrile(68527-72-0)

Safety Data

• Hazardous Substances Data: 68527-72-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H13N/c1-11(2,3)10-7-5-4-6-9(10)8-12/h4-7H,1-3H3

Upstream product

• 67-56-1 methanol 
• 2944-48-1 2-tert-butylanisole 
• 143-33-9 sodium cyanide 
• 7073-99-6 2-tert-butylbromobenzene 
• 544-92-3 copper(I) cyanide 
• 85-01-8 phenanthrene 
• 1184-88-9 sodium pivalate 
• 91-15-6 phthalonitrile 
• 253185-03-4 tert-butylbenzene 
• 75-05-8 acetonitrile 
• 542-69-8 1-iodo-butane 
• 558-17-8 tert-Butyl iodide 
• 109-65-9 1-bromo-butane 
• 507-19-7 t-butyl bromide 

Downstream Products

• 273218-96-5 2-tert-butylbenzyl isothiocyanate 
• 91338-95-3 2-tert-butylbenzylamine 

Relevant articles and documents

Acetonitrile as a cyanating reagent: Cu-catalyzed cyanation of arenes

A novel approach to the Cu-catalyzed cyanation of simple arenes using acetonitrile as an attractive cyano source has been documented. The C-H functionalization of arenes without directing groups involves a sequential iodination/cyanation to give the desired aromatic nitriles in good yields. A highly efficient Cu/TEMPO system for acetonitrile C-CN bond cleavage has been discovered. TEMPO is used as a cheap oxidant and enables the reaction to be catalytic in copper. Moreover, TEMPOCH2CN 6 has been identified as the active cyanating agent and shows high reactivity for forming the -CN moiety.

Characterization of the binding site of the histamine H3 receptor. 2. Synthesis, in vitro pharmacology, and QSAR of a series of monosubstituted benzyl analogues of thioperamide

A series of monosubstituted benzyl analogues of the histamine H3 receptor antagonist thioperamide were synthesized and evaluated for their histamine H3 receptor activity on the guinea pig jejunum. Incorporation of Cl, Br, and I at th

Anodic Cyanation of tert-Butylated Anisoles: Competitive Aromatic Additions and Substitutions

The electrooxidation of sevral tert-butylated anisoles has been carried out in ,ethanol containing sodium cyanide at a Pt anode in a divided cell.Two types of reactions occured competitively, aromatic-ring addition and substitution.Increasing the level of tert-butyl substitution raises the relative extent of addition to the aromatic ring.An MO calculation has indicated that the order of orientational preference for substitution of the aromatic hydrogen of alkylanisole cation radicals is explained in terms of the LUMO electron densities calculated for the cation radicals.The effect of structure on the oxidation potential of alkylanisoles has also been studied. para Substitution lowers the oxidation potential while ortho substitution raises the potential.