Methyl 2-oxo-1-(3-oxocyclohexyl)cyclopentane-1-carboxylate

Base Information

• Chemical Name: Methyl 2-oxo-1-(3-oxocyclohexyl)cyclopentane-1-carboxylate
• CAS No.: 115663-64-4
• Molecular Formula: C13H18O4
• Molecular Weight: 238.284
• DSSTox Substance ID: DTXSID80552653
• Nikkaji Number: J2.122.688B
• Mol file: 115663-64-4.mol

Synonyms:115663-64-4;Methyl 2-oxo-1-(3-oxocyclohexyl)cyclopentane-1-carboxylate;DTXSID80552653

Chemical Property of Methyl 2-oxo-1-(3-oxocyclohexyl)cyclopentane-1-carboxylate

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 238.12050905
• Heavy Atom Count: 17
• Complexity: 360

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1(CCCC1=O)C2CCCC(=O)C2

Technology Process of Methyl 2-oxo-1-(3-oxocyclohexyl)cyclopentane-1-carboxylate

There total 1 articles about Methyl 2-oxo-1-(3-oxocyclohexyl)cyclopentane-1-carboxylate 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: 90.0%

1-(3,3-Bis-phenylsulfanyl-cyclohexyl)-2-oxo-cyclopentanecarboxylic acid methyl ester (115663-66-6) → methyl 2-oxo-1-(3-oxocyclohexyl)cyclopentanecarboxylate (115663-64-4)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1055/s-1987-28188

Reference yield: 55.0%

methyl 2-oxo-1-(3-oxocyclohexyl)cyclopentanecarboxylate (115663-64-4) + thiophenol (108-98-5) → 1-(3,3-Bis-phenylsulfanyl-cyclohexyl)-2-oxo-cyclopentanecarboxylic acid methyl ester (115663-66-6)

Guidance literature:

With boron trifluoride diethyl etherate; Ambient temperature;

DOI:10.1055/s-1987-28188

upstream raw materials:

1-(3,3-Bis-phenylsulfanyl-cyclohexyl)-2-oxo-cyclopentanecarboxylic acid methyl ester

Downstream raw materials:

1-(3,3-Bis-phenylsulfanyl-cyclohexyl)-2-oxo-cyclopentanecarboxylic acid methyl ester