Undecanenitrile

Base Information

• Chemical Name: Undecanenitrile
• CAS No.: 2244-07-7
• Molecular Formula: C11H21 N
• Molecular Weight: 167.294
• Hs Code.: 2926909090
• European Community (EC) Number: 218-826-7
• NSC Number: 4026
• UNII: BQC7C2WO2K
• DSSTox Substance ID: DTXSID3062289
• Nikkaji Number: J45.683G
• Wikidata: Q63399664
• Mol file: 2244-07-7.mol

Synonyms:UNDECANENITRILE;2244-07-7;Undecanonitrile;1-Cyanodecane;n-Undecanonitrile;Decyl Cyanide;BQC7C2WO2K;NSC-4026;n-Decyl cyanide;hendecanenitrile;n-undecanenitrile;Undecanoic acid nitrile;1-DECYL CYANIDE;UNII-BQC7C2WO2K;SCHEMBL61880;DTXSID3062289;NSC4026;NSC 4026;EINECS 218-826-7;MFCD00001945;AKOS009159057;AI3-28302;CS-0450091;U0044;D92761;Q63399664

Chemical Property of Undecanenitrile

Chemical Property:

• Vapor Pressure: 0.0187mmHg at 25°C
• Melting Point: -5.8°C
• Refractive Index: 1.4310 to 1.4350
• Boiling Point: 129 °C / 11mmHg
• Flash Point: 100.6°C
• PSA: 23.79000
• Density: 0,82 g/cm3
• LogP: 4.04078
• Water Solubility.: Insoluble in water
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 167.167399674
• Heavy Atom Count: 12
• Complexity: 120

Purity/Quality:

98%,99%, ^*data from raw suppliers

Undecanenitrile >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: CCCCCCCCCCC#N

Technology Process of Undecanenitrile

There total 51 articles about Undecanenitrile 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: 99.0%

1-undecylamine (7307-55-3) → undecanenitrile (2244-07-7)

Guidance literature:

With C₂₂H₂₂Cl₂FeN₂O₈^(2-)*2C₁₆H₃₆N⁽¹⁺⁾; oxygen; In neat (no solvent); at 100 ℃; for 0.5h; under 760.051 Torr; Green chemistry;

DOI:10.1016/j.tetlet.2015.12.082

Reference yield: 99.0%

(Z)-undecanal oxime (109059-08-7) → undecanenitrile (2244-07-7)

Guidance literature:

With per-rhenic acid; In water; 1,3,5-trimethyl-benzene; for 1h; Heating;

DOI:10.1002/1521-3773(20020816)41:16<2983::AID-ANIE2983>3.0.CO;2-X

Reference yield: 98.0%

undecanal N,N-dimethylhydrazone → undecanenitrile (2244-07-7) + N-methylmethyleneamine N-oxide (54125-41-6)

Guidance literature:

With dihydrogen peroxide; methyltrioxorhenium(VII); In ethanol; at -50 - 20 ℃; for 1h;

DOI:10.1039/a804839h

upstream raw materials:

decyl chloride

potassium cyanide

1-bromo dodecane

1-undecylamine

Downstream raw materials:

1-(2,4,6-trihydroxy-phenyl)-undecan-1-one

N-(1-phenylethyl)dodecanamide

C₁₉H₃₁NO

1-undecylamine

Refernces

• 1、 Gr?ger, H.,Guntermann, A.,Hinzmann, A.,Jolmes, T.,Panke, D.,Plass, C.,R?sler, J.,Seidensticker, T.,Terhorst, M.,Vogt, D.,Vorholt, A. J.. "One-pot synthesis of aldoximes from alkenes: Via Rh-catalysed hydroformylation in an aqueous solvent system". . p. 7974 - 7982. Retrieved 2020/11/30.
• 2、 Bao, Jingxian,Huang, Min,Sun, Yuhan,Wu, Bo,Zhang, Shuyi,Zhong, Liangshu. "Tuning of active sites in M/TiO2 for photocatalytic cyanation of olefins with high regioselectivity". . . Retrieved 2020/08/25.