Decanenitrile

Base Information

• Chemical Name: Decanenitrile
• CAS No.: 1975-78-6
• Molecular Formula: C10H19 N
• Molecular Weight: 154.257
• Hs Code.: 2926 90 70
• European Community (EC) Number: 217-830-6
• NSC Number: 6085
• UNII: 1602VQ5IVC
• DSSTox Substance ID: DTXSID9027449
• Nikkaji Number: J95.341E
• Wikidata: Q27251754
• ChEMBL ID: CHEMBL3185975
• Mol file: 1975-78-6.mol

Synonyms:DECANENITRILE;Decanonitrile;1975-78-6;Caprinitrile;n-Decanenitrile;1-Cyanononane;Nonyl cyanide;n-Nonyl cyanide;NSC 6085;UNII-1602VQ5IVC;1602VQ5IVC;DTXSID9027449;NSC-6085;EINECS 217-830-6;AI3-11101;EC 217-830-6;Decanoic acid nitrile;Decanonitrilo;1-Decanenitrile;MFCD00039505;Nitrile 10 D;SCHEMBL663052;DTXCID307449;CHEMBL3185975;NSC6085;Tox21_200860;AKOS009156808;NCGC00248853-01;NCGC00258414-01;CAS-1975-78-6;CS-0199356;D2426;FT-0633946;E78018;EN300-7500553;Q27251754

Chemical Property of Decanenitrile

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0325mmHg at 25°C
• Melting Point: -15 °C
• Refractive Index: 1.4300
• Boiling Point: 241-243 °C
• Flash Point: 92°C
• PSA: 23.79000
• Density: 0.819g/cm³
• LogP: 3.65068
• Storage Temp.: Store below +30°C.
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 153.151749610
• Heavy Atom Count: 11
• Complexity: 109

Purity/Quality:

99.9% ^*data from raw suppliers

Decanenitrile >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: CCCCCCCCCC#N
• Uses: Decanenitrile is a building block and a starting material in the preparation of diketones and ketoenamides.

Technology Process of Decanenitrile

There total 49 articles about Decanenitrile 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: 98.0%

n-decanal oxime (13372-74-2) → n-decanenitrile (1975-78-6)

Guidance literature:

copper diacetate; In acetonitrile; for 1h; Heating;

DOI:10.1055/s-1983-30495

Reference yield: 97.0%

1-aminodecane (2016-57-1) → n-decanenitrile (1975-78-6)

Guidance literature:

With copper(I) chloride; 4 A molecular sieve; oxygen; In pyridine; at 60 ℃; for 24h;

DOI:10.1055/s-1989-27286

Reference yield: 94.0%

decanamide (2319-29-1) → n-decanenitrile (1975-78-6)

Guidance literature:

With phenylsilane; tetrabutyl ammonium fluoride; In tetrahydrofuran; toluene; at 100 ℃; for 0.5h; Inert atmosphere;

DOI:10.1021/ol900716q

upstream raw materials:

1-aminodecane

1-decanoic acid

1-bromo-octane

acetonitrile

Downstream raw materials:

bis-decanoylamino-methane

caprinaldehyde

2-nonylpyridine

benzene

Refernces

• 1、 Kise, Hideo,Araki, Kazuyoshi,Seno, Manabu. "PHASE TRANSFER CATALYSIS OF MODIFIED DEXTRAN ANION EXCHANGERS". . p. 1017 - 1020. Retrieved 1981.
• 2、 -. "Efficient nitriding reagent and application thereof". Paragraph 0260-0262. . Retrieved 2021/03/31.
• 3、 Albrecht, Martin,Kn?rr, Pascal,Olivares, Marta. "Aerobic dehydrogenation of amines to nitriles catalyzed by triazolylidene ruthenium complexes with O2 as terminal oxidant". . p. 1981 - 1991. Retrieved 2020/02/21.