2-Oxocyclopentanecarboxylic acid

Base Information

• Chemical Name: 2-Oxocyclopentanecarboxylic acid
• CAS No.: 50882-16-1
• Molecular Formula: C6H8O3
• Molecular Weight: 128.128
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID30498017
• Nikkaji Number: J922.143C
• Mol file: 50882-16-1.mol

Synonyms:2-Oxocyclopentanecarboxylic acid;50882-16-1;2-OXOCYCLOPENTANE-1-CARBOXYLIC ACID;2-CYCLOPENTANONE CARBOXYLATE;Cyclopentanecarboxylic acid, 2-oxo-;SCHEMBL932332;2-Oxocyclopentanecarboxylicacid;cyclopentanone-2-carboxylic acid;DTXSID30498017;FXBPINRBSNMESY-UHFFFAOYSA-N;MFCD06208574;AKOS006239293;CS-0372587;FT-0723010;EN300-60472

Chemical Property of 2-Oxocyclopentanecarboxylic acid

Chemical Property:

• Boiling Point: 301oC
• PKA: 3.60±0.20(Predicted)
• Flash Point: 150oC
• PSA: 54.37000
• Density: 1.314
• LogP: 0.44020
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform, Methanol
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 128.047344113
• Heavy Atom Count: 9
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

2-oxocyclopentanecarboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C(=O)C1)C(=O)O
• Uses: 2-Oxocyclopentanecarboxylic Acid is a reactant that has been used in the synthesis of Piragliatin, a glucokinase activator.

Technology Process of 2-Oxocyclopentanecarboxylic acid

There total 10 articles about 2-Oxocyclopentanecarboxylic 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: 38.0%

carbon dioxide (124-38-9,18923-20-1) + cyclopentanone (120-92-3) → 2-oxocyclopentane-1-carboxylic acid (50882-16-1)

Guidance literature:

With triethylamine; sodium iodide; magnesium chloride; In acetonitrile; at 25 ℃; for 3h;

DOI:10.1021/jo00224a045

Reference yield:

2-ethoxycarbonyl-1-cyclopentanone (611-10-9) → 2-oxocyclopentane-1-carboxylic acid (50882-16-1)

Guidance literature:

With potassium hydroxide;

Reference yield:

methyl magnesium carbonate (14171-36-9) + cyclopentanone (120-92-3) → 2-oxocyclopentane-1-carboxylic acid (50882-16-1)

Guidance literature:

In N,N-dimethyl-formamide; at 130 ℃; for 6h;

DOI:10.1016/j.tet.2018.09.026

upstream raw materials:

2-ethoxycarbonyl-1-cyclopentanone

2-diazocyclohexane-1,3-dione

carbon dioxide

cyclopentanone

Downstream raw materials:

ethyl 1,4-dioxaspiro[4,4]nonane-6-carboxylate

cyclopentanone

cyclopentene

3-Benzoyloxy-17-(5-oxocyclopentylcarbonyloxy)-Δ^1,3,5-estratriene