7-(2-Oxocyclopentyl)heptanoic acid

Base Information

• Chemical Name: 7-(2-Oxocyclopentyl)heptanoic acid
• CAS No.: 5288-67-5
• Molecular Formula: C12H20O3
• Molecular Weight: 212.289
• NSC Number: 151785
• DSSTox Substance ID: DTXSID401303786
• Mol file: 5288-67-5.mol

Synonyms:cyclopentane-2-oxo-1-heptanoic acid

Chemical Property of 7-(2-Oxocyclopentyl)heptanoic acid

Chemical Property:

• Vapor Pressure: 1.76E-06mmHg at 25°C
• Boiling Point: 369.8°C at 760 mmHg
• Flash Point: 191.6°C
• Density: 1.061g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 212.14124450
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C(=O)C1)CCCCCCC(=O)O

Technology Process of 7-(2-Oxocyclopentyl)heptanoic acid

There total 28 articles about 7-(2-Oxocyclopentyl)heptanoic acid 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:

2-(6-carbethoxyhexyl)-2-carbomethoxycyclopentanone (41301-58-0) → 2-(6-carboxyhexyl)cyclopentanone (5288-67-5)

Guidance literature:

With sulfuric acid; In water;

Reference yield:

7-(5-oxo-1-cyclopentenyl)-cis-5-heptenoic acid,methyl ester + tris(triphenylphosphine)rhodium(I) chloride → 2-(6-carboxyhexyl)cyclopentanone (5288-67-5)

Guidance literature:

With hydrogen; In ethyl acetate n-hexane; hexane; 2-phenylethanol; ethyl acetate;

Reference yield:

7-(5-oxo-1-cyclopenten-1-yl)heptanoic acid (5239-43-0) → 2-(6-carboxyhexyl)cyclopentanone (5288-67-5)

Guidance literature:

With hydrogen; nickel; In ethanol;

DOI:10.1246/bcsj.45.2797

upstream raw materials:

ethyl 7-bromoheptanoate

2-ethoxycarbonyl-1-cyclopentanone

2-ethoxycarbonyl-2-<6',6'-bis(ethoxycarbonyl)hexyl>cyclopentanone

2-carboxyethoxy-2-(6'-methoxycarbonylhexyl)-cyclopentanone

Downstream raw materials:

2-(6-carboxyhexyl)cyclopentanone hexylhydrazone

7-(5-oxo-1-cyclopenten-1-yl)heptanoic acid

2-(6'-carboxy-1'E-hexylidene)cyclopentanone

methyl 7-(3-hydroxy-5-oxocyclopent-1-en-1-yl)heptanoate

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