2,3-Dimethyl-3-phenylbutanenitrile

Base Information

• Chemical Name: 2,3-Dimethyl-3-phenylbutanenitrile
• CAS No.: 21101-89-3
• Molecular Formula: C₁₂H₁₅N
• Molecular Weight: 173.258
• DSSTox Substance ID: DTXSID501289024
• Mol file: 21101-89-3.mol

Synonyms:21101-89-3;2,3-dimethyl-3-phenylbutanenitrile;DTXSID501289024;alpha,beta,beta-Trimethylbenzenepropanenitrile;EN300-1877985

Chemical Property of 2,3-Dimethyl-3-phenylbutanenitrile

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 173.120449483
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C#N)C(C)(C)C1=CC=CC=C1

Technology Process of 2,3-Dimethyl-3-phenylbutanenitrile

There total 1 articles about 2,3-Dimethyl-3-phenylbutanenitrile 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:

2-Cyan-2.3-dimethyl-3-phenyl-butansaeure-ethylester (21084-34-4) → 2,3-Dimethyl-3-phenyl-butyronitril (21101-89-3)

Guidance literature:

With potassium hydroxide; In ethylene glycol;

DOI:10.1039/j39690000121

Reference yield:

2,3-Dimethyl-3-phenyl-butyronitril (21101-89-3) → erythro-3,4-Dimethyl-4-phenyl-pentanol-(2)

Guidance literature:

Multi-step reaction with 2 steps

2: LiAlH₄

With lithium aluminium tetrahydride;

DOI:10.1039/j39690000121

Reference yield:

methyl magnesium iodide (917-64-6) + 2,3-Dimethyl-3-phenyl-butyronitril (21101-89-3) → 3,4-dimethyl-4-phenyl-pentan-2-one (1203-12-9)

Guidance literature:

DOI:10.1039/j39690000121

upstream raw materials:

2-Cyan-2.3-dimethyl-3-phenyl-butansaeure-ethylester

Downstream raw materials:

3,4-dimethyl-4-phenyl-pentan-2-one