2-Oxooctanal

Base Information

• Chemical Name: 2-Oxooctanal
• CAS No.: 2363-86-2
• Molecular Formula: C8H14 O2
• Molecular Weight: 142.198
• DSSTox Substance ID: DTXSID10178305
• Nikkaji Number: J1.447.525G
• Wikidata: Q83048695
• Mol file: 2363-86-2.mol

Synonyms:2-Oxooctanal;Octanal, 2-oxo-;2363-86-2;1.2-octanedione;SCHEMBL83435;DTXSID10178305;MWDGNKGKLOBESZ-UHFFFAOYSA-N

Chemical Property of 2-Oxooctanal

Chemical Property:

• Vapor Pressure: 0.596mmHg at 25°C
• Boiling Point: 188.5°Cat760mmHg
• Flash Point: 64.2°C
• Density: 0.917g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(=O)C=O

Technology Process of 2-Oxooctanal

There total 1 articles about 2-Oxooctanal 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: 12.0%

n-octyne (629-05-0) → heptanal (111-71-7) + oenanthic acid (111-14-8) + 2-oxo-octanal (2363-86-2) + 2,3-epoxyoctanal (42134-50-9,113973-12-9)

Guidance literature:

With HOF* CH₃CN; In chloroform; at 0 - 20 ℃; Product distribution;

DOI:10.1021/jo001101i

Reference yield:

2-oxo-octanal (2363-86-2) → C27H34N2O6S

Guidance literature:

Multi-step reaction with 3 steps

1: chloroform / 20 °C

2: tributylphosphine / toluene / 1 h / 20 °C / Inert atmosphere; Schlenk technique

3: methanol / 0.25 h / 20 °C

With tributylphosphine; In methanol; chloroform; toluene;

DOI:10.1021/jacs.1c10927

Reference yield:

2-oxo-octanal (2363-86-2) → ethyl (E)-2-(2-formylbenzylidene)-4-oxodecanoate

Guidance literature:

Multi-step reaction with 2 steps

1: chloroform / 20 °C

2: tributylphosphine / toluene / 1 h / 20 °C / Inert atmosphere; Schlenk technique

With tributylphosphine; In chloroform; toluene;

DOI:10.1021/jacs.1c10927

upstream raw materials:

n-octyne

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