ethyl (R)-5-methyl-3-oxooctanoate

Base Information

• Chemical Name: ethyl (R)-5-methyl-3-oxooctanoate
• CAS No.: 874208-98-7
• Molecular Formula: C11H20O3
• Molecular Weight: 200.278
• DSSTox Substance ID: DTXSID101019522
• Nikkaji Number: J2.579.380C
• Mol file: 874208-98-7.mol

Synonyms:SCHEMBL4192337;DTXSID101019522;ethyl (R)-5-methyl-3-oxooctanoate;874208-98-7;NS00077570

Chemical Property of ethyl (R)-5-methyl-3-oxooctanoate

Chemical Property:

• PSA: 43.37000
• LogP: 2.33500
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 200.14124450
• Heavy Atom Count: 14
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)CC(=O)CC(=O)OCC
• Isomeric SMILES: CCC[C@@H](C)CC(=O)CC(=O)OCC

Technology Process of ethyl (R)-5-methyl-3-oxooctanoate

There total 1 articles about ethyl (R)-5-methyl-3-oxooctanoate 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: 83.0%

C17H23NO3 + ethyl potassium malonate (6148-64-7) → 4-methyl-5-phenyloxazolidin-2-one (77943-39-6) + ethyl (R)-5-methyl-3-oxo-octanoate (874208-98-7)

Guidance literature:

C₁₇H₂₃NO₃; ethyl potassium malonate; With triethylamine; magnesium chloride; In acetonitrile; at 80 ℃; for 20h;

With hydrogenchloride; In water; at 10 ℃; Further stages.;

DOI:10.1016/j.tetlet.2008.03.004

upstream raw materials:

ethyl potassium malonate