Tetradecanenitrile

Base Information

• Chemical Name: Tetradecanenitrile
• CAS No.: 629-63-0
• Molecular Formula: C14H27N
• Molecular Weight: 209.375
• European Community (EC) Number: 211-099-7
• NSC Number: 910
• DSSTox Substance ID: DTXSID3060877
• Nikkaji Number: J94.931K
• Wikidata: Q81989214
• Metabolomics Workbench ID: 94920
• Mol file: 629-63-0.mol

Synonyms:Tetradecanenitrile;Myristonitrile;629-63-0;Tetradecanonitrile;ORANILE;1-Cyanotridecane;Myristyl nitrile;NSC910;NSC 910;NSC-910;EINECS 211-099-7;AI3-00310;N-TRIDECYL CYANIDE;Cyanotridecane;Myristo nitrile;Tridecyl Cyanide;C14-18 Nitriles;SCHEMBL1003191;DTXSID3060877;EINECS 268-080-1;MFCD00019848;AKOS006037399;FT-0632668;M0740

Chemical Property of Tetradecanenitrile

Chemical Property:

• Vapor Pressure: 0.000777mmHg at 25°C
• Melting Point: 19°C
• Refractive Index: 1.4415
• Boiling Point: 306.3 °C at 760 mmHg
• Flash Point: 121.8 °C
• PSA: 23.79000
• Density: 0.827 g/cm³
• LogP: 5.21108
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 209.214349865
• Heavy Atom Count: 15
• Complexity: 154

Purity/Quality:

98% ^*data from raw suppliers

Myristonitrile >96.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R22:Harmful if swallowed.
• Hazard Codes: R22:Harmful if swallowed.
• Statements: 22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCCCCCCCCC#N

Technology Process of Tetradecanenitrile

There total 34 articles about Tetradecanenitrile 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: 96.0%

myristylaldehyde (124-25-4,511542-15-7) → myristonitrile (629-63-0)

Guidance literature:

With hydroxylamine hydrochloride; sodium iodide; In acetonitrile; for 1.5h; Heating;

DOI:10.1055/s-2003-41408

Reference yield: 92.0%

tetradecylamine (2016-42-4) → myristonitrile (629-63-0)

Guidance literature:

With sodium hydroxide; dipotassium peroxodisulfate; dodecyl-N,N-dimethylamine N-oxide; nickel(II) sulphate; In water; at 20 ℃; for 2h; pH=12.9;

DOI:10.1002/ejoc.200500047

Reference yield: 91.0%

tritetradecanoylglycerol (555-45-3) → myristonitrile (629-63-0)

Guidance literature:

With ammonia; at 220 ℃; for 40h; Autoclave;

DOI:10.1002/cssc.201900365

upstream raw materials:

tetradecanamide

n-tetradecanoic acid

1-Bromotetradecane

1-iodo-n-undecane

Downstream raw materials:

octadecan-5-one

pentadecan-2-one

9-butyl-docosane

7-phenyl-eicosane

Refernces

• 1、 Zhang, Xiaofeng,Jiang, Runze,Cheng, Xu. "Electrochemical Tandem Olefination and Hydrogenation Reaction with Ammonia". . p. 16016 - 16025. Retrieved 2021/08/24.
• 2、 Achard, Thierry,Bellemin-Laponnaz, Stéphane,Chen, Weiguang,Egly, Julien,Maisse-Francois, Aline,Poblador-Bahamonde, Amalia I.. "Synthesis, characterization, catalytic and biological application of half-sandwich ruthenium complexes bearing hemilabile (κ2-: C, S)-thioether-functionalised NHC ligands". supporting information. p. 3243 - 3252. Retrieved 2020/03/19.