2-Methyloctanenitrile

Base Information

• Chemical Name: 2-Methyloctanenitrile
• CAS No.: 2570-96-9
• Molecular Formula: C9H17N
• Molecular Weight: 139.241
• Hs Code.: 2926909090
• European Community (EC) Number: 219-914-8
• DSSTox Substance ID: DTXSID60948575
• Nikkaji Number: J192.074J
• Mol file: 2570-96-9.mol

Synonyms:2-Methyloctanenitrile;2570-96-9;2-methyl-octanenitrile;EINECS 219-914-8;2-Methyloctanonitrile;starbld0010916;SCHEMBL663207;DTXSID60948575;CAA57096;CS-0260222;EN300-747006

Chemical Property of 2-Methyloctanenitrile

Chemical Property:

• Vapor Pressure: 0.167mmHg at 25°C
• Refractive Index: 1.424
• Boiling Point: 213.1 °C at 760 mmHg
• Flash Point: 98.7 °C
• PSA: 23.79000
• Density: 0.814 g/cm³
• LogP: 3.11648
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 139.136099547
• Heavy Atom Count: 10
• Complexity: 109

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)C#N

Technology Process of 2-Methyloctanenitrile

There total 35 articles about 2-Methyloctanenitrile 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: 97.0%

2-(2-tetrahydropyranyloxy)octane (140387-66-2,140387-67-3,69993-79-9,70702-57-7) + tetra-n-butylammonium cyanide (10442-39-4) → 2-octyl cyanide (2570-96-9)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 5h; Heating;

DOI:10.1080/10426500490466463

Reference yield: 93.0%

P-toluenesulfonyl cyanide (19158-51-1) + octan-2-yl phenyl telluride (97567-68-5) → 2-octyl cyanide (2570-96-9)

Guidance literature:

With allyl methyl sulfone; 1,1'-azobis(1-cyanocyclohexanenitrile); In various solvent(s); at 140 ℃; for 8h;

DOI:10.1055/s-2002-35589

Reference yield: 90.0%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + tetra-n-butylammonium cyanide (10442-39-4) → 2-octyl cyanide (2570-96-9)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; at 20 ℃; for 0.0833333h;

DOI:10.1021/jo035238v

upstream raw materials:

hydrogen cyanide

oct-1-ene

2-iodooctane

potassium cyanide

Downstream raw materials:

hexyl-methyl-ketone

3-methyl-nonan-2-one

2-Peracetoxy-2-methyloctannitril

Refernces

• 1、 -. "Process for the Catalytic Reversible Alkene-Nitrile Interconversion". Page/Page column 23. . Retrieved 2017/09/02.
• 2、 Soltani Rad, Mohammad Navid,Khalafi-Nezhad, Ali,Behrouz, Somayeh,Faghihi, Mohammad Ali. "A simple one-pot procedure for the direct conversion of alcohols into alkyl nitriles using TsIm". . p. 6779 - 6784. Retrieved 2008/02/13.