2-(Benzylamino)-2-methylpropanenitrile

Base Information

• Chemical Name: 2-(Benzylamino)-2-methylpropanenitrile
• CAS No.: 99840-51-4
• Molecular Formula: C11H14N2
• Molecular Weight: 174.246
• Hs Code.: 2926907090
• European Community (EC) Number: 692-778-9
• DSSTox Substance ID: DTXSID40540819
• Nikkaji Number: J1.748.449D
• Wikidata: Q82416938
• Mol file: 99840-51-4.mol

Synonyms:2-(benzylamino)-2-methylpropanenitrile;99840-51-4;2-benzylamino-2-cyanopropane;DTXSID40540819;MFCD10014472;AKOS009134725;BG-0016;CS-0364765

Chemical Property of 2-(Benzylamino)-2-methylpropanenitrile

Chemical Property:

• PSA: 35.82000
• LogP: 2.46928
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 174.115698455
• Heavy Atom Count: 13
• Complexity: 193

Purity/Quality:

99% ^*data from raw suppliers

2-(Benzylamino)-2-methylpropanenitrile >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#N)NCC1=CC=CC=C1

Technology Process of 2-(Benzylamino)-2-methylpropanenitrile

There total 9 articles about 2-(Benzylamino)-2-methylpropanenitrile 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: 76.0%

2-Phenylpropanal (34713-70-7) + 2-hydroxy-2-methylpropanenitrile (75-86-5) + benzylamine (100-46-9) → 2-benzylamino-2-methylpropionitrile (99840-51-4) + 2-Benzylamino-3-phenyl-butyronitrile

Guidance literature:

2-Phenylpropanal; benzylamine; In dichloromethane; at 20 ℃; for 0.166667h;

2-hydroxy-2-methylpropanenitrile; In dichloromethane; for 20h;

DOI:10.1002/ejoc.201100089

Reference yield: 76.0%

butyraldehyde (123-72-8) + 2-hydroxy-2-methylpropanenitrile (75-86-5) + benzylamine (100-46-9) → 2-(N-benzylamino)pentanenitrile (56249-49-1) + 2-benzylamino-2-methylpropionitrile (99840-51-4)

Guidance literature:

butyraldehyde; benzylamine; In dichloromethane; at 20 ℃; for 0.166667h;

2-hydroxy-2-methylpropanenitrile; In dichloromethane; for 20h;

DOI:10.1002/ejoc.201100089

Reference yield: 68.0%

2-Phenylpropanal (34713-70-7) + 2-hydroxy-2-methylpropanenitrile (75-86-5) + benzylamine (100-46-9) → 2-benzylamino-2-methylpropionitrile (99840-51-4) + 2-hydroxy-3-phenylbutyronitrile (72599-99-6) + 2-Benzylamino-3-phenyl-butyronitrile

Guidance literature:

2-Phenylpropanal; benzylamine; In acetonitrile; at 20 ℃; for 0.166667h;

2-hydroxy-2-methylpropanenitrile; In acetonitrile; for 20h;

DOI:10.1002/ejoc.201100089

upstream raw materials:

hydrogen cyanide

acetone

benzylamine

trimethylsilyl cyanide

Downstream raw materials:

2-[N-benzylmethylamino]-1,2-dimethyl propylamine

2-benzyl-2-azabicyclo[3.1.1]heptane-1-carboxylic acid hydrochloride

C-(2-benzyl-2-azabicyclo[3.1.1]hept-1-yl)-methylamine

2-benzyl-2-azabicyclo[3.1.1]heptane-1-carbonitrile