Dodecaneperoxoic acid tert-butyl ester

Base Information

• Chemical Name: Dodecaneperoxoic acid tert-butyl ester
• CAS No.: 2123-88-8
• Molecular Formula: C₁₆H₃₂O₃
• Molecular Weight: 272.428
• Hs Code.: 2918300090
• NSC Number: 612831
• DSSTox Substance ID: DTXSID30175477
• Nikkaji Number: J106.502E
• Wikidata: Q83045828
• Mol file: 2123-88-8.mol

Synonyms:2123-88-8;Dodecaneperoxoic acid tert-butyl ester;tert-butyl dodecaneperoxoate;t-butyl peroxylaurate;Perfluorooctanoicanhydride;Dodecaneperoxoic acid,1,1-dimethylethyl ester;SCHEMBL4817097;DTXSID30175477;NSC612831;NSC-612831;FT-0699552

Chemical Property of Dodecaneperoxoic acid tert-butyl ester

Chemical Property:

• Vapor Pressure: 0.00025mmHg at 25°C
• Refractive Index: 1.439
• Boiling Point: 324.1 °C at 760 mmHg
• Flash Point: 88.8 °C
• PSA: 35.53000
• Density: 0.9 g/cm³
• LogP: 5.18060
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 13
• Exact Mass: 272.23514488
• Heavy Atom Count: 19
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC(=O)OOC(C)(C)C

Technology Process of Dodecaneperoxoic acid tert-butyl ester

There total 3 articles about Dodecaneperoxoic acid tert-butyl ester 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: 60.0%

tert.-butylhydroperoxide (75-91-2) + lauric acid (143-07-7) → Peroxylaurinsaeure-tert.-butylester (2123-88-8)

Guidance literature:

tert.-butylhydroperoxide; lauric acid; With dmap; In dichloromethane; water; at 0 ℃; for 0.166667h;

With dicyclohexyl-carbodiimide; In dichloromethane; water; at 0 - 25 ℃;

DOI:10.1021/acs.orglett.9b04218

Reference yield:

tert.-butylhydroperoxide (75-91-2) + n-dodecanoyl chloride (112-16-3) → Peroxylaurinsaeure-tert.-butylester (2123-88-8)

Guidance literature:

With pyridine; Petroleum ether;

DOI:10.1021/ja01519a023

Reference yield:

→ Peroxylaurinsaeure-tert.-butylester (2123-88-8)

Guidance literature:

Laurinsaeurechlorid, Pyridin, tert.-Butylhydroperoxid;

DOI:10.1021/ja01017a031

upstream raw materials:

tert.-butylhydroperoxide

n-dodecanoyl chloride

lauric acid

Refernces

• 1、 Madhusudanan, K. P.,Misra, Dharmendra,Singh, Chandan. "Mass Spectral Fragmentations and Gas Phase Reactions of t-Butyl Peresters". . p. 398 - 401. Retrieved 2007/10/02.