4-(2-hydroxypropan-2-yl)benzonitrile

Base Information

• Chemical Name: 4-(2-hydroxypropan-2-yl)benzonitrile
• CAS No.: 77802-22-3
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Mol file: 77802-22-3.mol

Synonyms:p-cyanocumyl alcohol;

Chemical Property of 4-(2-hydroxypropan-2-yl)benzonitrile

Chemical Property:

• Melting Point: 49-51 °C
• Boiling Point: 299.0±23.0 °C(Predicted)
• PKA: 14.12±0.29(Predicted)
• PSA: 44.02000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 1.78568

Purity/Quality:

99% ^*data from raw suppliers

4-(2-hydroxypropan-2-yl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2-hydroxypropan-2-yl)benzonitrile

There total 23 articles about 4-(2-hydroxypropan-2-yl)benzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.7%

4-cyanophenyl methyl ketone (1443-80-7) + methyltrichlorotitanium (2747-38-8) → 4-(2-hydroxypropan-2-yl)benzenecarbonitrile (77802-22-3)

Guidance literature:

at -5 - -4 ℃; for 1h; Solvent; Temperature; Large scale;

DOI:10.1021/op5003769

Reference yield: 99.0%

4-bromobenzenecarbonitrile (623-00-7) + isopropyl alcohol (67-63-0,8013-70-5) → 4-(2-hydroxypropan-2-yl)benzenecarbonitrile (77802-22-3)

Guidance literature:

With di-tert-butyl peroxide; barium carbonate; In neat (no solvent); at 120 ℃; for 24h; Solvent; Glovebox; Inert atmosphere;

DOI:10.1002/adsc.202000216

Reference yield: 91.0%

2-nitro-2-(p-cyanophenyl)propane (58324-82-6) → 4-(2-hydroxypropan-2-yl)benzenecarbonitrile (77802-22-3) + 1-(4-cyanophenyl)-1-methylethylamine

Guidance literature:

With sodium acetate; acetic acid; sodium chloride; In methanol; water; electrochemical reduction, pH=5;

DOI:10.1051/jcp/1996930601

upstream raw materials:

p-Cyanocumen

4-cyanobenzoic acid methyl ester

methyllithium

methylmagnesium bromide

Downstream raw materials:

p-cyano-α-chlorocumene

2-(4-cyanophenyl)propene

4-(1-methoxy-1-methylethyl)benzonitrile

4-(1-hydroxy-1-methyl-ethyl)benzyl amine