3-Ethylheptanal

Base Information

• Chemical Name: 3-Ethylheptanal
• CAS No.: 2570-97-0
• Molecular Formula: C9H18O
• Molecular Weight: 142.241
• DSSTox Substance ID: DTXSID701317007
• Nikkaji Number: J1.095.606D
• Mol file: 2570-97-0.mol

Synonyms:3-ethylheptanal;2570-97-0;SCHEMBL78112;DTXSID701317007;CAA57097;MFCD11553592;AKOS013286408;EN300-120656

Chemical Property of 3-Ethylheptanal

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 142.135765193
• Heavy Atom Count: 10
• Complexity: 78.8

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(CC)CC=O

Technology Process of 3-Ethylheptanal

There total 5 articles about 3-Ethylheptanal 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: 6.0%

3-ethyl-heptan-1-ol (3525-25-5) + 4-Methoxybenzyl alcohol (105-13-5) → 3-ethylheptanal (2570-97-0) + 4-methoxy-benzaldehyde (123-11-5)

Guidance literature:

With sulfuric acid; oxygen; sodium nitrite; In tetrachloromethane; cyclohexane; at 60 ℃; for 24h; Ionic liquid;

DOI:10.1080/00397911.2012.677927

Reference yield:

trans-2-Octene (13389-42-9) + carbon monoxide (201230-82-2) → nonan-1-al (124-19-6) + 2-methyl-1-octanal (49642-49-1,55352-42-6,72598-55-1,7786-29-0) + 3-ethylheptanal (2570-97-0)

Guidance literature:

With dicarbonylacetylacetonato rhodium (I); C₆₈H₆₈O₆P₂; hydrogen; In toluene; at 140 ℃; for 25h; under 7500.75 Torr; regioselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.02.035

Reference yield:

oct-1-ene (111-66-0,25068-25-1) + carbon monoxide (201230-82-2) → nonan-1-al (124-19-6) + 2-methyl-1-octanal (49642-49-1,55352-42-6,72598-55-1,7786-29-0) + 4-propylhexanal (339061-37-9) + 3-ethylheptanal (2570-97-0)

Guidance literature:

With Rh(acac)2(CO)2; C₂₁H₂₉P; hydrogen; peracetylated β-cyclodextrin; In carbon dioxide; at 80 ℃; for 3h; under 190013 Torr; liquid CO₂;

DOI:10.1002/ejic.200800153

upstream raw materials:

oct-1-ene

carbon monoxide

trans-2-Octene

3-ethyl-heptan-1-ol