Trideca-3,12-dienenitrile

Base Information

• Chemical Name: Trideca-3,12-dienenitrile
• CAS No.: 134769-33-8
• Molecular Formula: C₁₃H₂₁N
• Molecular Weight: 191.316
• European Community (EC) Number: 639-057-7
• DSSTox Substance ID: DTXSID1073107
• Mol file: 134769-33-8.mol

Synonyms:TRIDECA-3,12-DIENENITRILE;134769-33-8;(3E)-trideca-3,12-dienenitrile;Trideca-3,12-dien-nitrile;SCHEMBL196218;DTXSID1073107;FT-0628144

Chemical Property of Trideca-3,12-dienenitrile

Chemical Property:

• Vapor Pressure: 0.00236mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 288.3 °C at 760 mmHg
• Flash Point: 133.4 °C
• PSA: 23.79000
• Density: 0.849 g/cm³
• LogP: 4.37298
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 9
• Exact Mass: 191.167399674
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C=CCCCCCCCC=CCC#N

Technology Process of Trideca-3,12-dienenitrile

There total 3 articles about Trideca-3,12-dienenitrile 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:

C15H24ClNO2 (1069111-32-5) → (E)-tridec-3,12-dienenitrile (134769-33-8) + (Z)-tridec-3,12-dienenitrile (124071-43-8,134769-33-8)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; for 8h; optical yield given as %de; Inert atmosphere; Reflux; Irradiation;

DOI:10.1021/ol801752m

Reference yield:

C15H24ClNO2 (1069111-32-5) → (E)-tridec-3,12-dienenitrile (134769-33-8) + (Z)-tridec-3,12-dienenitrile (124071-43-8,134769-33-8)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; for 8h; optical yield given as %de; Inert atmosphere; Reflux; Irradiation;

DOI:10.1021/ol801752m

Reference yield:

→ (E)-tridec-3,12-dienenitrile (134769-33-8)

Guidance literature:

upstream raw materials:

C₁₅H₂₄ClNO₂

Refernces

• 1、 -. "Ketone precursors for organoleptic compounds". . . Retrieved 2008/06/13.