2-(Isopropylamino)-2-methylpropanenitrile

Base Information

• Chemical Name: 2-(Isopropylamino)-2-methylpropanenitrile
• CAS No.: 16256-47-6
• Molecular Formula: C₇H₁₄N₂
• Molecular Weight: 126.202
• Hs Code.: 2926909090
• European Community (EC) Number: 692-781-5
• DSSTox Substance ID: DTXSID10368845
• Wikidata: Q82155696
• Mol file: 16256-47-6.mol

Synonyms:16256-47-6;2-(isopropylamino)-2-methylpropanenitrile;2-methyl-2-[(propan-2-yl)amino]propanenitrile;2-methyl-2-(propan-2-ylamino)propanenitrile;SCHEMBL16750054;DTXSID10368845;HMS1789B08;MFCD06357358;AKOS000118572;BG-0047;2-Methyl-2-[isopropylamino]propanenitrile;CS-0307945;EN300-10200;F13453;Z56347216

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

Chemical Property:

• Vapor Pressure: 0.298mmHg at 25°C
• Boiling Point: 202°C at 760 mmHg
• Flash Point: 76°C
• PSA: 35.82000
• Density: 0.86g/cm³
• LogP: 1.67748
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 126.115698455
• Heavy Atom Count: 9
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

2-methyl-2-[(propan-2-yl)amino]propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)NC(C)(C)C#N

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

There total 2 articles about 2-(Isopropylamino)-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: 64.0%

isopropylamine (75-31-0) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 2-(isopropylamino)-2-methylpropanenitrile (16256-47-6)

Guidance literature:

In methanol; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1055/s-0030-1260811

Reference yield:

sodium cyanide (773837-37-9) + diisopropylamine (108-18-9) → 2-(isopropylamino)-2-methylpropanenitrile (16256-47-6)

Guidance literature:

With [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; acetic acid; In [D₃]acetonitrile; at 20 ℃; for 24h; Irradiation; Sealed tube;

DOI:10.1021/acs.joc.8b01700

upstream raw materials:

isopropylamine

2-hydroxy-2-methylpropanenitrile

sodium cyanide

diisopropylamine

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