2,4-Heptadiene, 1,1-diethoxy-

Base Information

• Chemical Name: 2,4-Heptadiene, 1,1-diethoxy-
• CAS No.: 72102-75-1
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.279
• DSSTox Substance ID: DTXSID4072499
• Nikkaji Number: J97.360B
• Wikidata: Q76389832
• Mol file: 72102-75-1.mol

Synonyms:2,4-Heptadiene, 1,1-diethoxy-;1,1-Diethoxy-2,4-heptadiene;72102-75-1;2,4-Heptadienal diethyl acetal;DTXSID4072499

Chemical Property of 2,4-Heptadiene, 1,1-diethoxy-

Chemical Property:

• Vapor Pressure: 0.0681mmHg at 25°C
• Boiling Point: 237.7°Cat760mmHg
• Flash Point: 84.9°C
• PSA: 18.46000
• Density: 0.875g/cm³
• LogP: 2.90790
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 184.146329876
• Heavy Atom Count: 13
• Complexity: 144

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CC=CC(OCC)OCC
• Isomeric SMILES: CC/C=C/C=C/C(OCC)OCC

Technology Process of 2,4-Heptadiene, 1,1-diethoxy-

There total 2 articles about 2,4-Heptadiene, 1,1-diethoxy- 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:

7-methoxy-hept-6-en-4-yn-3-ol (89171-62-0) → 1,1-diethoxy-hepta-2,4-diene (72102-75-1)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C / methanol

2: TsOH

With hydrogen; toluene-4-sulfonic acid; palladium on activated charcoal; In methanol;

Reference yield:

hepta-2,4-dienal (5910-85-0) + orthoformic acid triethyl ester (122-51-0) → 1,1-diethoxy-hepta-2,4-diene (72102-75-1)

Guidance literature:

With toluene-4-sulfonic acid;

upstream raw materials:

hepta-2,4-dienal

orthoformic acid triethyl ester

7-methoxy-hept-6-en-4-yn-3-ol