4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile

Base Information

• Chemical Name: 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile
• CAS No.: 10517-66-5
• Molecular Formula: C₂₁H₁₇NO
• Molecular Weight: 299.372
• NSC Number: 100703
• DSSTox Substance ID: DTXSID20295234
• Wikidata: Q82035040
• Mol file: 10517-66-5.mol

Synonyms:4-(2-hydroxy-2,2-diphenylethyl)benzonitrile;10517-66-5;NSC100703;SCHEMBL5881613;DTXSID20295234;NSC 100703;NSC-100703

Chemical Property of 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile

Chemical Property:

• Vapor Pressure: 2.83E-09mmHg at 25°C
• Boiling Point: 460.4°Cat760mmHg
• Flash Point: 232.3°C
• Density: 1.19g/cm³
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 299.131014166
• Heavy Atom Count: 23
• Complexity: 385

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CC2=CC=C(C=C2)C#N)(C3=CC=CC=C3)O

Technology Process of 4-(2-Hydroxy-2,2-diphenylethyl)benzonitrile

There total 3 articles about 4-(2-Hydroxy-2,2-diphenylethyl)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: 69.0%

1,1-Diphenylethylene (530-48-3) + 1-(methylsulfonyl)-2-(4-cyanophenyl)diazene → 1-(4-cyanophenyl)-2,2-diphenylethene (14293-57-3) + 4-(1-hydroxy-2,2-diphenylethyl)benzonitrile (10517-66-5)

Guidance literature:

With dipotassium peroxodisulfate; In water; acetonitrile; for 4h; Reagent/catalyst; Irradiation;

DOI:10.1002/ejoc.201800883

Reference yield:

benzophenone (119-61-9) + para-methylbenzonitrile (104-85-8) → 4-(1-hydroxy-2,2-diphenylethyl)benzonitrile (10517-66-5)

Guidance literature:

Multistep reaction; (i) LiNMe₂, HMPT, THF, (ii) /BRN= 1238185/, (iii) aq. HCl;

DOI:10.1016/S0022-328X(00)91538-9

Reference yield:

→ 4-(1-hydroxy-2,2-diphenylethyl)benzonitrile (10517-66-5)

Guidance literature:

p-Tolunitril 1. NaNH2, NH3(fl) 2. Benzophenon;

upstream raw materials:

benzophenone

para-methylbenzonitrile

1,1-Diphenylethylene

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