2-Methyldecanenitrile

Base Information

• Chemical Name: 2-Methyldecanenitrile
• CAS No.: 69300-15-8
• Molecular Formula: C11H21N
• Molecular Weight: 167.294
• European Community (EC) Number: 273-960-3
• DSSTox Substance ID: DTXSID20867819
• Nikkaji Number: J317.968K
• Mol file: 69300-15-8.mol

Synonyms:2-Methyldecanenitrile;69300-15-8;Frutonile;Decanenitrile, 2-methyl-;EINECS 273-960-3;2-Cyanodecane;Decanenitrile,2-methyl-;2 - methyldecanenitrile;Decanonitrilo, 2-metil-;SCHEMBL196200;DTXSID20867819;AKOS006274425;FT-0668889

Chemical Property of 2-Methyldecanenitrile

Chemical Property:

• Appearance/Colour: COLOURLESS LIQUID
• Vapor Pressure: 0.021mmHg at 25°C
• Refractive Index: 1.432
• Boiling Point: 250.9 °C at 760 mmHg
• Flash Point: 128.9 °C
• PSA: 23.79000
• Density: 0.82 g/cm³
• LogP: 3.89668
• Solubility.: Dichloromethane, Hexanes
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 167.167399674
• Heavy Atom Count: 12
• Complexity: 131

Purity/Quality:

99.9% ^*data from raw suppliers

Frutonile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(C)C#N
• Uses: 2-METHYLDECANONITRILE is used in the perfume composition.

Technology Process of 2-Methyldecanenitrile

There total 7 articles about 2-Methyldecanenitrile 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: 43.0%

1-bromo-octane (111-83-1) + propiononitrile (107-12-0) → 2-methyl-decanenitrile (69300-15-8)

Guidance literature:

propiononitrile; With lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

1-bromo-octane; In tetrahydrofuran; hexane; at 20 ℃; for 24h; Further stages.;

DOI:10.1021/ja0725504

Reference yield:

1,9-decadiyne (1720-38-3) + potassium cyanide (151-50-8) → 2-methyl-decanenitrile (69300-15-8) + 2,9-Dimethyl-decanedinitrile

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

Reference yield:

N,N-dimethyl-ethanamine (598-56-1) + methyl n-butylcyanoacetate (7309-46-8) → 2-methyl-decanenitrile (69300-15-8)

Guidance literature:

upstream raw materials:

Decan-2-one

sodium cyanide

1,9-decadiyne

potassium cyanide

Downstream raw materials:

2-methyldecanal

Refernces

• 1、 Kochi, Takuya,Noda, Shusuke,Yoshimura, Kenji,Nozaki, Kyoko. "Formation of linear copolymers of ethylene and acrylonitrile catalyzed by phosphine sulfonate palladium complexes". . p. 8948 - 8949. Retrieved 2008/02/09.
• 2、 -. "Methylation of organic compounds". . . Retrieved 2008/06/13.