Butanenitrile, 2-[(diphenylmethylene)amino]-3-methyl-

Base Information

• Chemical Name: Butanenitrile, 2-[(diphenylmethylene)amino]-3-methyl-
• CAS No.: 70591-23-0
• Molecular Formula: C18H18N2
• Molecular Weight: 262.354
• DSSTox Substance ID: DTXSID50450995
• Mol file: 70591-23-0.mol

Synonyms:Butanenitrile, 2-[(diphenylmethylene)amino]-3-methyl-;70591-23-0;DTXSID50450995

Chemical Property of Butanenitrile, 2-[(diphenylmethylene)amino]-3-methyl-

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 262.146998583
• Heavy Atom Count: 20
• Complexity: 342

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: CC(C)C(C#N)N=C(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of Butanenitrile, 2-[(diphenylmethylene)amino]-3-methyl-

There total 3 articles about Butanenitrile, 2-[(diphenylmethylene)amino]-3-methyl- 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: 83.0%

N-(diphenylmethylene)aminoacetonitrile (70591-20-7) → 2--3-methylbutyronitrile (70591-23-0)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane;

DOI:10.1021/jo026257s

Reference yield: 67.0%

N-(diphenylmethylene)aminoacetonitrile (70591-20-7) + isopropyl bromide (75-26-3) → 2--3-methylbutyronitrile (70591-23-0)

Guidance literature:

With sodium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In water; toluene; at 0 - 25 ℃;

DOI:10.1002/(SICI)1099-1344(199812)41:12<1145::AID-JLCR159>3.0.CO;2-2

Reference yield:

→ 2--3-methylbutyronitrile (70591-23-0)

Guidance literature:

Schiffbase (2), Benzyltriaethylammoniumchlorid, NaOH, Toluol, Isopropylbromid;

DOI:10.1016/S0040-4039(01)85688-4

upstream raw materials:

N-(diphenylmethylene)aminoacetonitrile

isopropyl bromide

Downstream raw materials:

D,L-valine