2-Methylnonanenitrile

Base Information

• Chemical Name: 2-Methylnonanenitrile
• CAS No.: 85351-03-7
• Molecular Formula: C10H19 N
• Molecular Weight: 153.268
• European Community (EC) Number: 286-725-5
• UNII: UG2RC5MKC2
• DSSTox Substance ID: DTXSID001005819
• Nikkaji Number: J310.316A
• Mol file: 85351-03-7.mol

Synonyms:2-Methylnonanenitrile;85351-03-7;EINECS 286-725-5;2-methyl-nonanenitrile;Nonanenitrile, 2-methyl-;UG2RC5MKC2;SCHEMBL15638673;DTXSID001005819

Chemical Property of 2-Methylnonanenitrile

Chemical Property:

• Vapor Pressure: 0.0592mmHg at 25°C
• Boiling Point: 232.4°C at 760 mmHg
• Flash Point: 114.2°C
• Density: 0.817g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 153.151749610
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

98%Min ^*data from raw suppliers

2-METHYLNONANENITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(C)C#N

Technology Process of 2-Methylnonanenitrile

There total 6 articles about 2-Methylnonanenitrile 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: 95.0%

2-bromononane (2216-35-5) + tetra-n-butylammonium cyanide (10442-39-4) → 2-methylnonanenitrile (85351-03-7)

Guidance literature:

With copper(l) iodide; In acetonitrile; at 20 ℃; for 24h; Inert atmosphere; UV-irradiation;

DOI:10.1021/jacs.5b08452

Reference yield: 28.4%

nonanonitrile (2243-27-8) + methyl iodide (74-88-4) → 2-methylnonanenitrile (85351-03-7)

Guidance literature:

nonanonitrile; With potassium hexamethylsilazane; In tetrahydrofuran; at 0 ℃; for 0.0833333h;

methyl iodide; In tetrahydrofuran;

Reference yield:

1,8-nonadiyn (2396-65-8) + potassium cyanide (151-50-8) → 2-methylnonanenitrile (85351-03-7) + 2,8-Dimethyl-nonanedinitrile

Guidance literature:

With sodium tetrahydroborate; potassium tetracyanonickelate(II); In ethylene glycol; at 45 ℃; for 6h; Yield given. Yields of byproduct given;

DOI:10.1246/bcsj.56.2863

upstream raw materials:

1,8-nonadiyn

potassium cyanide

2-bromononane

tetra-n-butylammonium cyanide

Downstream raw materials:

n-decanenitrile

Refernces

• 1、 Ratani, Tanvi S.,Bachman, Shoshana,Fu, Gregory C.,Peters, Jonas C.. "Photoinduced, Copper-Catalyzed Carbon-Carbon Bond Formation with Alkyl Electrophiles: Cyanation of Unactivated Secondary Alkyl Chlorides at Room Temperature". supporting information. p. 13902 - 13907. Retrieved 2016/01/15.