Diphenylacetonitrile

Base Information

• Chemical Name: Diphenylacetonitrile
• CAS No.: 80024-91-5
• Molecular Formula: C₁₄H₁₁N
• Molecular Weight: 203.169
• Mol file: 80024-91-5.mol

Synonyms:Diphenylacetonitrile-d10

Chemical Property of Diphenylacetonitrile

Chemical Property:

• PSA: 23.79000
• LogP: 3.34208

Purity/Quality:

96% ^*data from raw suppliers

Diphenylacetonitrile-d10 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Labelled Mathadone (M225865) impurity.

Technology Process of Diphenylacetonitrile

There total 6 articles about Diphenylacetonitrile 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: 43.0%

trimethylsilyl cyanide (7677-24-9) + benzhydrol-d10 (74563-01-2) → diphenylacetonitrile-d10 (80024-91-5)

Guidance literature:

With indium(III) bromide; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1002/chem.201404987

Reference yield:

benzene-d6 (1076-43-3) → diphenylacetonitrile-d10 (80024-91-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) AlCl₃; 2.) H₂O

2: t-BuOK / dimethylsulfoxide; methanol / 17 h / Ambient temperature

With aluminium trichloride; potassium tert-butylate; water; In methanol; dimethyl sulfoxide;

Reference yield:

bromobenzene-d5 (4165-57-5) → diphenylacetonitrile-d10 (80024-91-5)

Guidance literature:

Multi-step reaction with 3 steps

1.1: n-butyllithium / hexane; diethyl ether / 3 h / 0 - 20 °C / Inert atmosphere

1.2: 0 - 20 °C / Inert atmosphere

2.1: iodine; magnesium / tetrahydrofuran / 2 h / 20 °C / Inert atmosphere

2.2: 0 °C / Inert atmosphere

3.1: indium(III) bromide / dichloromethane / 20 °C / Inert atmosphere

With n-butyllithium; indium(III) bromide; iodine; magnesium; In tetrahydrofuran; diethyl ether; hexane; dichloromethane;

DOI:10.1002/chem.201404987

upstream raw materials:

(2H₁₀)benzophenone

[(p-methylphenyl)sulfonylmethyl]isonitrile

benzene-d6

trimethylsilyl cyanide

Downstream raw materials:

(S)-(+)-2,2-di-(2H₅-phenyl)-4-dimethylaminopentanenitrile

(R)-(-)-2,2-di-(2H₅-phenyl)-4-dimethylaminopentanenitrile

d17-(S)-diphenyl-[1-(toluene-4-sulfonyl)-pyrrolidin-3-yl]-acetonitrile

(R)-(-)-Methadone-d₁₀ hydrochloride