13,15-Dioxadispiro[5.0.5.3]pentadecan-14-one

Base Information

• Chemical Name: 13,15-Dioxadispiro[5.0.5.3]pentadecan-14-one
• CAS No.: 87122-14-3
• Molecular Formula: C13H20O3
• Molecular Weight: 224.3
• DSSTox Substance ID: DTXSID601258333
• Nikkaji Number: J883.574H

Synonyms:13,15-Dioxadispiro[5.0.5.3]pentadecan-14-one;DTXSID601258333;87122-14-3

Chemical Property of 13,15-Dioxadispiro[5.0.5.3]pentadecan-14-one

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 224.14124450
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2(CC1)C3(CCCCC3)OC(=O)O2

Technology Process of 13,15-Dioxadispiro[5.0.5.3]pentadecan-14-one

There total 3 articles about 13,15-Dioxadispiro[5.0.5.3]pentadecan-14-one 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: 45.0%

1,1'-bicyclohexane-1,1'-diol (2888-11-1) → spiro[5.6]dodecan-7-one (4728-90-9) + 13,15-Dioxa-dispiro[5.0.5.3]pentadecan-14-one (87122-14-3)

Guidance literature:

With isocyanate de chlorosulfonyle; In benzene; 1.) 0 deg C, 2.) reflux, 0.5 h;

Reference yield: 17.0%

isocyanate de chlorosulfonyle (1189-71-5) + 1,1'-bicyclohexane-1,1'-diol (2888-11-1) → spiro[5.6]dodecan-7-one (4728-90-9) + 13,15-Dioxa-dispiro[5.0.5.3]pentadecan-14-one (87122-14-3)

Guidance literature:

In benzene; 1.) 0 deg C, 2.) reflux, 0.5 h;

Reference yield: 15.0%

1,1'-bicyclohexane-1,1'-diol (2888-11-1) + acetic anhydride (108-24-7) → 13,15-Dioxa-dispiro[5.0.5.3]pentadecan-14-one (87122-14-3) + 2-acetonyl-2-hydroxy-4,4:5,5-bis(pentamethylene)-1,3-dioxolane (91328-26-6) + 2-acetonylidene-4,4:5,5-bis(pentamethylene)-1,3-dioxolane (91328-27-7) + acetone (67-64-1)

Guidance literature:

With dmap; at 85 ℃; for 3h;

DOI:10.1021/jo00195a019

upstream raw materials:

isocyanate de chlorosulfonyle

1,1'-bicyclohexane-1,1'-diol

acetic anhydride

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