3-Amino-2,2-dimethylpropanenitrile

Base Information

• Chemical Name: 3-Amino-2,2-dimethylpropanenitrile
• CAS No.: 67744-70-1
• Molecular Formula: C5H10N2
• Molecular Weight: 98.1478
• European Community (EC) Number: 826-217-8
• DSSTox Substance ID: DTXSID401296878
• Mol file: 67744-70-1.mol

Synonyms:3-amino-2,2-dimethylpropanenitrile;67744-70-1;MFCD19216334;Propanenitrile, 3-amino-2,2-dimethyl-;2-cyano-2-methylpropylamine;3-amino-dimethylpropionitrile;VFJGAQNGDVAFIC-UHFFFAOYSA-N;DTXSID401296878;AKOS006347194;CS-0210728;D86232;EN300-131018

Chemical Property of 3-Amino-2,2-dimethylpropanenitrile

Chemical Property:

• Melting Point: 10℃
• Boiling Point: 193℃
• PKA: 7.22±0.10(Predicted)
• Flash Point: 71℃
• PSA: 49.81000
• Density: 0.907
• LogP: 1.99718
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 98.084398327
• Heavy Atom Count: 7
• Complexity: 95.9

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-2,2-dimethylpropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CN)C#N

Technology Process of 3-Amino-2,2-dimethylpropanenitrile

There total 4 articles about 3-Amino-2,2-dimethylpropanenitrile 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:

α-(nitromethyl)isobutyronitrile (114583-17-4) → 2-(5,5-dimethyl-hexahydro-pyrimidin-2-yl)-2-methyl-propionic acid amide (859065-87-5) + 2,2-Dimethyl-1,3-diaminopropane (7328-91-8) + 3-amino-2,2-dimethyl-propionitrile (67744-70-1) + aminopivalinamide (324763-51-1)

Guidance literature:

at 100 ℃; Hydrogenation;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + α-(nitromethyl)isobutyronitrile (114583-17-4) → 2-(5,5-dimethyl-hexahydro-pyrimidin-2-yl)-2-methyl-propionic acid amide (859065-87-5) + 2,2-Dimethyl-1,3-diaminopropane (7328-91-8) + 3-amino-2,2-dimethyl-propionitrile (67744-70-1) + aminopivalinamide (324763-51-1)

Guidance literature:

at 60 - 70 ℃;

Reference yield:

methanol (67-56-1) + α-(nitromethyl)isobutyronitrile (114583-17-4) → 2-(5,5-dimethyl-hexahydro-pyrimidin-2-yl)-2-methyl-propionic acid amide (859065-87-5) + 2,2-Dimethyl-1,3-diaminopropane (7328-91-8) + 3-amino-2,2-dimethyl-propionitrile (67744-70-1) + aminopivalinamide (324763-51-1)

Guidance literature:

Hydrogenation;

upstream raw materials:

hydrogenchloride

α-(nitromethyl)isobutyronitrile

methanol

Downstream raw materials:

2,2-Dimethyl-1,3-diaminopropane

N,N'-(2,2-dimethyl-propanediyl)-bis-benzamide

C₃₀H₄₉N₅O₅

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxypropyl)-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-(2-propan-2-yl)nonanamide hemifumarate

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