Cyclohexyl 2-hydroperoxypropanoate

Base Information

• Chemical Name: Cyclohexyl 2-hydroperoxypropanoate
• CAS No.: 143713-49-9
• Molecular Formula: C9H16O4
• Molecular Weight: 188.224
• DSSTox Substance ID: DTXSID90566483
• Nikkaji Number: J1.039.593C
• Mol file: 143713-49-9.mol

Synonyms:Cyclohexyl 2-hydroperoxypropanoate;143713-49-9;DTXSID90566483

Chemical Property of Cyclohexyl 2-hydroperoxypropanoate

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 188.10485899
• Heavy Atom Count: 13
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC1CCCCC1)OO

Technology Process of Cyclohexyl 2-hydroperoxypropanoate

There total 2 articles about Cyclohexyl 2-hydroperoxypropanoate 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: 72.0%

cyclohexyl acrylate (3066-71-5,27458-65-7) → 2-Hydroperoxy-propionic acid cyclohexyl ester (143713-49-9)

Guidance literature:

With triethylsilane; oxygen; [5,10,15,20-tetrakis(2,6-dichlorophenyl)porphinato]cobalt(II); In dichloromethane; isopropyl alcohol; at 28 ℃; for 4h; under 760 Torr;

DOI:10.1039/a805888a

Reference yield: 29.0%

cyclohexyl acrylate (3066-71-5,27458-65-7) → c-hexyl pyruvate (6963-43-5) + cyclohexyl 2-hydroxypropanoate (68791-95-7) + 2-Hydroperoxy-propionic acid cyclohexyl ester (143713-49-9)

Guidance literature:

With triethylsilane; porphyrin‐Co(II); oxygen; In dichloromethane; isopropyl alcohol; for 3h; Ambient temperature;

DOI:10.1246/cl.1992.1381

upstream raw materials:

cyclohexyl acrylate

Refernces

• 1、 Matsushita, Yoh-ichi,Matsui, Takanao,Sugamoto, Kazuhiro. "Cobalt(II) Porphyrin-Catalyzed Oxidation of Olefins to Ketones with Molecular Oxygen and Triethylsilane in 2-Propanol". . p. 1381 - 1384. Retrieved 2007/10/02.