3-Isobutylamino-propionitrile

Base Information

• Chemical Name: 3-Isobutylamino-propionitrile
• CAS No.: 14278-96-7
• Molecular Formula: C7H14 N2
• Molecular Weight: 126.2
• Hs Code.: 2926909090
• European Community (EC) Number: 604-310-2
• DSSTox Substance ID: DTXSID40339669
• Nikkaji Number: J144.441G
• Wikidata: Q82108869
• Mol file: 14278-96-7.mol

Synonyms:3-isobutylamino-propionitrile;14278-96-7;3-(2-methylpropylamino)propanenitrile;3-[(2-methylpropyl)amino]propanenitrile;Propionitrile, 3-(isobutylamino)-;Propanenitrile, 3-[(2-methylpropyl)amino]-;3-(Isobutylamino)propionitrile;SCHEMBL6161515;3-(Isobutylamino)propiononitrile;DTXSID40339669;3-(Isobutylamino)propanenitrile #;MFCD01475811;AKOS005188294;EN300-05249;Z53117516

Chemical Property of 3-Isobutylamino-propionitrile

Chemical Property:

• Vapor Pressure: 0.182mmHg at 25°C
• Boiling Point: 211.5°Cat760mmHg
• Flash Point: 81.7°C
• PSA: 35.82000
• Density: 0.86g/cm³
• LogP: 1.53658
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 126.115698455
• Heavy Atom Count: 9
• Complexity: 98.7

Purity/Quality:

98%Min ^*data from raw suppliers

3-[(2-methylpropyl)amino]propanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNCCC#N

Technology Process of 3-Isobutylamino-propionitrile

There total 1 articles about 3-Isobutylamino-propionitrile 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:

isobutylamine (78-81-9) + acrylonitrile (107-13-1,25014-41-9) → 3-(isobutylamino)propionitrile (14278-96-7)

Guidance literature:

DOI:10.1007/BF00855366 DOI:10.1021/ja01192a030 DOI:10.1021/ja01216a020

Reference yield: 77.0%

(S)-[4-(prop-2-ynyloxy)pent-1-ynyl]benzene (927385-43-1) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + 3-(isobutylamino)propionitrile (14278-96-7) → (S)-3-[N-(2-methylpropyl)-[N-4-(5-phenylpent-4-yn-2-yloxy)but-2-ynyl]amino]propanenitrile (927385-54-4)

Guidance literature:

formaldehyd; 3-(isobutylamino)propionitrile; With o-toluenesulfonic acid; In dichloromethane; at 60 ℃; for 24h;

(S)-[4-(prop-2-ynyloxy)pent-1-ynyl]benzene; With copper(I) bromide; In tetrahydrofuran; N,N-dimethyl-formamide; at 70 ℃; for 48h; Further stages.;

DOI:10.1021/ol0625280

Reference yield: 22.0%

3-(isobutylamino)propionitrile (14278-96-7) + 3,6-dichloro-9-(2-sulfophenyl)xanthene → C33H36N4O4S

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 40h; Inert atmosphere;

upstream raw materials:

isobutylamine

acrylonitrile

Downstream raw materials:

(S)-3-[N-(2-methylpropyl)-[N-4-(5-phenylpent-4-yn-2-yloxy)but-2-ynyl]amino]propanenitrile