2,3-Dimethylbutanenitrile

Base Information

• Chemical Name: 2,3-Dimethylbutanenitrile
• CAS No.: 20654-44-8
• Molecular Formula: C6H11N
• Molecular Weight: 97.16
• European Community (EC) Number: 849-348-2
• Mol file: 20654-44-8.mol

Synonyms:2,3-dimethylbutanenitrile;20654-44-8;2,3-dimethylbutyronitrile;AKOS009460148;EN300-153646;Z415654752

Chemical Property of 2,3-Dimethylbutanenitrile

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 97.089149355
• Heavy Atom Count: 7
• Complexity: 85.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(C)C#N

Technology Process of 2,3-Dimethylbutanenitrile

There total 1 articles about 2,3-Dimethylbutanenitrile 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:

C16H33BN(1-)*Na(1+) → 2,3-dimethylbutanenitrile (20654-44-8) + 3-methylbutan-2-yl acetate (5343-96-4)

Guidance literature:

With lead(IV) acetate; sodium cyanide; Yield given. Multistep reaction; 1) THF, 20 deg C, 5 min, 2) THF, -20 deg C, 12 h;

DOI:10.1039/c39840000398

Reference yield:

1-chloro-4-tetrahydropyranyloxybutane (41302-05-0) + 2,3-dimethylbutanenitrile (20654-44-8) → 5,6-dimethyl-heptan-1-ol (60564-78-5)

Guidance literature:

Multistep reaction; (i) LiNEt₂, HMPT, benzene, (ii) K, HMPT, tBuOH, (iii) TsOH;

DOI:10.1055/s-1976-24052

Reference yield:

2,3-dimethylbutanenitrile (20654-44-8) → 5-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-2-methyl-pentanenitrile; compound with oxalic acid

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / LDA / diethyl ether / -20 °C

2: 20 percent / 3 h / 60 °C

With lithium diisopropyl amide; In diethyl ether;

Downstream raw materials:

5,6-dimethyl-heptan-1-ol