beta-Butylaminoisobutyronitrile

Base Information

• Chemical Name: beta-Butylaminoisobutyronitrile
• CAS No.: 63145-02-8
• Molecular Formula: C8H16N2
• Molecular Weight: 140.226
• DSSTox Substance ID: DTXSID90979115
• Nikkaji Number: J1.532.908D
• Mol file: 63145-02-8.mol

Synonyms:3-(butylamino)-2-methylpropanenitrile;63145-02-8;beta-Butylaminoisobutyronitrile;SCHEMBL6542359;.beta.-Butylaminoisobutyronitrile;DTXSID90979115;AKOS008962914

Chemical Property of beta-Butylaminoisobutyronitrile

Chemical Property:

• Vapor Pressure: 0.0644mmHg at 25°C
• Boiling Point: 230.8°Cat760mmHg
• PKA: 8.47±0.28(Predicted)
• Flash Point: 93.4°C
• PSA: 35.82000
• Density: 0.859g/cm³
• LogP: 1.92668
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 140.131348519
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNCC(C)C#N

Technology Process of beta-Butylaminoisobutyronitrile

There total 2 articles about beta-Butylaminoisobutyronitrile 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: 81.0%

→ 3-Butylamino-2-methyl-propionitril (63145-02-8)

Guidance literature:

Conversion of starting material;

Reference yield: 76.0%

N-butylamine (109-73-9,85404-21-3) + methacrylonitrile (126-98-7,25067-61-2) → 3-Butylamino-2-methyl-propionitril (63145-02-8)

Guidance literature:

1,3-bis[(di-tert-butylphosphino)methyl]benzene; palladium diacetate; In toluene; at 20 ℃; for 12h; Conversion of starting material;

Reference yield:

3-Butylamino-2-methyl-propionitril (63145-02-8) + 2-(2-chloro-N-methyl-acetamido)-5-chlorobenzophenone (6021-21-2) → N-(2-Benzoyl-4-chloro-phenyl)-2-[butyl-(2-cyano-2-methyl-ethyl)-amino]-N-methyl-acetamide

Guidance literature:

In 1,4-dioxane;

upstream raw materials:

N-butylamine

methacrylonitrile

Refernces