7-Oxooctanal

Base Information

• Chemical Name: 7-Oxooctanal
• CAS No.: 36219-80-4
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• UNII: LKT3YJ7USB
• DSSTox Substance ID: DTXSID00457510
• Nikkaji Number: J1.927.154D
• Wikidata: Q82280368
• Mol file: 36219-80-4.mol

Synonyms:7-oxooctanal;Octanal, 7-oxo-;36219-80-4;8-Oxo-2-octanone;LKT3YJ7USB;SCHEMBL1262327;DTXSID00457510

Chemical Property of 7-Oxooctanal

Chemical Property:

• Boiling Point: 62-64 °C(Press: 0.2 Torr)
• PSA: 34.14000
• Density: 0.9989 g/cm3(Temp: 25 °C)
• LogP: 1.72480
• XLogP3: 0.6
• 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: CC(=O)CCCCCC=O

Technology Process of 7-Oxooctanal

There total 1 articles about 7-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:

hept-6-en-2-one (21889-88-3) + carbon monoxide (201230-82-2) → 7-oxo-octanal (36219-80-4)

Guidance literature:

hept-6-en-2-one; With Rh(CO)2(acac); (2-oxo-1,2-dihydro-6-pyridyl)diphenylphosphine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

carbon monoxide; With hydrogen; In tetrahydrofuran; at 20 ℃; for 20h; regioselective reaction; Ambient pressure;

DOI:10.1002/adsc.200700595

Reference yield: 72.0%

malonic acid (141-82-2) + 7-oxo-octanal (36219-80-4) → (E)-9-oxo-dec-2-enoic acid (334-20-3,2575-01-1,29282-32-4)

Guidance literature:

With pyridine;

Reference yield: 57.0%

7-oxo-octanal (36219-80-4) + methyl (triphenylphosphoranylidene)acetate (21204-67-1,2605-67-6) → (E)-9-oxo-dec-2-enoic acid (334-20-3,2575-01-1,29282-32-4)

Guidance literature:

upstream raw materials:

hept-6-en-2-one

carbon monoxide

Downstream raw materials:

(E)-9-oxo-dec-2-enoic acid

7-oxooctanoic acid

acetic acid 7-oxo-octyl ester

8-hydroxy-octan-2-one