77802-22-3

Basic information

• Product Name: 4-(2-hydroxypropan-2-yl)benzonitrile
• Synonyms: 4-(2-hydroxypropan-2-yl)benzonitrile
• CAS NO: 77802-22-3
• Molecular Formula: C₁₀H₁₁NO
• Molecular Weight: 161.20044
• Mol File: 77802-22-3.mol
• Article Data: 23

Chemical Properties

• Melting Point: 49-51 °C
• Boiling Point: 299.0±23.0 °C(Predicted)
• Appearance: /
• Density: 1.09±0.1 g/cm3(Predicted)
• PKA: 14.12±0.29(Predicted)
• CAS DataBase Reference: 4-(2-hydroxypropan-2-yl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-hydroxypropan-2-yl)benzonitrile(77802-22-3)
• EPA Substance Registry System: 4-(2-hydroxypropan-2-yl)benzonitrile(77802-22-3)

Safety Data

• Hazardous Substances Data: 77802-22-3(Hazardous Substances Data)

Upstream product

• 623-26-7 terephthalonitrile 
• 67-63-0 isopropyl alcohol 
• 1443-80-7 4-cyanophenyl methyl ketone 
• 74-88-4 methyl iodide 
• 676-58-4 methylmagnesium chloride 
• 623-00-7 4-bromobenzenecarbonitrile 
• 623-03-0 4-Cyanochlorobenzene 
• 917-54-4 methyllithium 
• 3058-39-7 4-iodobenzonitrile 
• 67-64-1 acetone 
• 13816-33-6 p-Cyanocumen 
• 75-16-1 methylmagnesium bromide 
• 2747-38-8 methyltrichlorotitanium 
• 19956-03-7 2-(4-cyanophenyl)propene 

Downstream Products

• 19956-03-7 2-(4-cyanophenyl)propene 
• 125847-22-5 4-(1-methoxy-1-methylethyl)benzonitrile 
• 1443-80-7 4-cyanophenyl methyl ketone 
• 1085453-86-6 3-[4-(2-fluoropropan-2-yl)phenyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole 
• 1085453-69-5 4-(2-fluoropropan-2-yl)-N'-hydroxybenzenecarboximide amide 
• 1085453-68-4 4-(2-fluoropropan-2-yl)benzenecarbonitrile 
• 214758-90-4 4-(1-hydroxy-1-methyl-ethyl)benzyl amine 
• 72206-85-0 p-cyano-α-chlorocumene 

Relevant articles and documents

Stepwise benzylic oxygenation via uranyl-photocatalysis

Stepwise oxygenation at the benzylic position (1°, 2°, 3°) of aromatic molecules was comprehensively established under ambient conditions via uranyl photocatalysis to produce carboxylic acids, ketones, and alcohols, respectively. The accuracy of the stepwise oxygenation was ensured by the tunability of catalytic activity in uranyl photocatalysis, which was adjusted by solvents and additives demonstrated through Stern–Volmer analysis. Hydrogen atom transfer between the benzylic position and the uranyl catalyst facilitated oxygenation, further confirmed by kinetic studies. Considerably improved efficiency of flow operation demonstrated the potential for industrial synthetic application.

Direct α-Arylation of Alcohols with Aryl Halides through a Radical Chain Mechanism

Alcohols were found to be arylated directly at their α-C?H bond with aryl halides in the presence of a base and a substoichiometric amount of t-BuOOt-Bu through a homolytic aromatic substitution mechanism. (Figure presented.).

POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4

Disclosed herein are tricyclic compounds, including 3-(difluoromethyl)-4-methylpyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8-amine compounds, which may be useful as positive allosteric modulators of the muscarinic acetylcholine receptor M4 (mAChR