(Z)-3-heptenal

Base Information

• Chemical Name: (Z)-3-heptenal
• CAS No.: 21662-18-0
• Molecular Formula: C₇H₁₂O
• Molecular Weight: 112.172
• DSSTox Substance ID: DTXSID401316874
• Mol file: 21662-18-0.mol

Synonyms:(Z)-3-heptenal;(3Z)-3-Heptenal;(z)-3-hepten-1-al;SCHEMBL10315029;ORAQCSKNITWHDW-PLNGDYQASA-N;DTXSID401316874;21662-18-0

Chemical Property of (Z)-3-heptenal

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 74.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC=CCC=O
• Isomeric SMILES: CCC/C=C\CC=O

Technology Process of (Z)-3-heptenal

There total 4 articles about (Z)-3-heptenal 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:

trans-3-hepten-1-ol (2108-05-6) → trans-2-hexenaldehyde (21662-18-0,89896-73-1,21662-20-4)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/jf404885j

Reference yield:

(E)-hept-3-enoic acid (29901-85-7,68676-74-4,28163-84-0) → trans-2-hexenaldehyde (21662-18-0,89896-73-1,21662-20-4)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 2 h / 0 - 20 °C

2: Dess-Martin periodane / dichloromethane / 3 h / 20 °C

With lithium aluminium tetrahydride; Dess-Martin periodane; In tetrahydrofuran; dichloromethane; 2: |Dess-Martin Oxidation;

DOI:10.1021/jf404885j

Reference yield:

hept-2c-ene-1,4-diol (83726-19-6) → trans-2-hexenaldehyde (21662-18-0,89896-73-1,21662-20-4)

Guidance literature:

With sulfuric acid;

upstream raw materials:

hept-2c-ene-1,4-diol

(E)-hept-3-enoic acid

trans-3-hepten-1-ol

Downstream raw materials:

n-octanamide

(6R,2'Z)-6-pent-2'-enyl-2-phenyl-3,6-dihydro-2H-[1,2]oxazine

(Z)-hept-3-en-1-ol

(E)-2-Hexen-1-ol