(E)-hept-2-enenitrile

Base Information

• Chemical Name: (E)-hept-2-enenitrile
• CAS No.: 22031-56-7
• Molecular Formula: C7H11N
• Molecular Weight: 109.171
• NSC Number: 147129,147128
• Nikkaji Number: J1.519.361A,J2.228.557B
• Mol file: 22031-56-7.mol

Synonyms:22031-56-7;(E)-hept-2-enenitrile;2-heptenenitrile;NSC147128;(E)-2-Heptenenitrile;SCHEMBL848248;NSC147129;NSC-147128;NSC-147129;66478-41-9

Chemical Property of (E)-hept-2-enenitrile

Chemical Property:

• Vapor Pressure: 1.41mmHg at 25°C
• Boiling Point: 171.3°Cat760mmHg
• Flash Point: 56.8°C
• Density: 0.832g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 109.089149355
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

90%,98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC=CC#N
• Isomeric SMILES: CCCC/C=C/C#N

Technology Process of (E)-hept-2-enenitrile

There total 20 articles about (E)-hept-2-enenitrile 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: 50.0%

(E)-1-chloro-1-hexene (50586-19-1) + potassium cyanide (151-50-8) → (E)-hept-2-enenitrile (22031-56-7)

Guidance literature:

With dibromobis(triphenylphosphine)nickel(II); triphenylphosphine; zinc; In N,N-dimethyl-formamide; at 50 ℃; for 8h;

DOI:10.1246/bcsj.68.3137

Reference yield: 5.0%

1-hexene (592-41-6,25067-06-5) + acrylonitrile (107-13-1,25014-41-9) → (Z)-2-heptenenitrile (66478-41-9) + (E)-hept-2-enenitrile (22031-56-7) + 5-decene (19689-19-1)

Guidance literature:

With [1,3-bis(2,6-Me₂C₆H₄)-4,5-dihydroimidazol-](Py)2(Cl)2Ru=CHPh; In dichloromethane; at 45 ℃; for 12h;

DOI:10.1016/j.tetlet.2005.08.062

Reference yield:

1-<<(6-cyano-5-hexenyl)carbonyl>oxy>-2-(1H)-pyridinethione (143546-36-5,143546-37-6) → (E)-hept-2-enenitrile (22031-56-7) + 2-cyclopentylacetonitrile (5732-87-6)

Guidance literature:

With Benzeneselenol; In tetrahydrofuran; at 25 ℃; Rate constant; Kinetics; Irradiation; other trapping agent; other temperature and solvent;

DOI:10.1021/ja00047a026

upstream raw materials:

1-Cyan-1-hydroxy-hexylphosphonsaeure-diaethylester

hept-2-enal dimethylhydrazone

ethanedinitrile

hex-1-yne