tert-Butyl phenoxyperoxyacetate

Base Information

• Chemical Name: tert-Butyl phenoxyperoxyacetate
• CAS No.: 5789-77-5
• Molecular Formula: C12H16 O4
• Molecular Weight: 224.257
• European Community (EC) Number: 227-325-2
• UNII: HW7A4V2GKV
• DSSTox Substance ID: DTXSID00206601
• Nikkaji Number: J218.048K
• Wikidata: Q83080447
• Mol file: 5789-77-5.mol

Synonyms:tert-Butyl phenoxyperoxyacetate;5789-77-5;HW7A4V2GKV;EINECS 227-325-2;UNII-HW7A4V2GKV;DTXSID00206601;2-Phenoxyperacetic acid 1,1-dimethylethyl ester;PEROXYACETIC ACID, PHENOXY-, TERT-BUTYL ESTER

Chemical Property of tert-Butyl phenoxyperoxyacetate

Chemical Property:

• Vapor Pressure: 0.00184mmHg at 25°C
• Boiling Point: 292.3°Cat760mmHg
• Flash Point: 124.1°C
• PSA: 44.76000
• Density: 1.089g/cm³
• LogP: 2.33870
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OOC(=O)COC1=CC=CC=C1

Technology Process of tert-Butyl phenoxyperoxyacetate

There total 3 articles about tert-Butyl phenoxyperoxyacetate 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: 62.0%

tert.-butylhydroperoxide (75-91-2) + 2-phenoxyacetic acid (122-59-8) → tert-butyl 2-phenoxyethaneperoxoate (5789-77-5)

Guidance literature:

tert.-butylhydroperoxide; 2-phenoxyacetic acid; With dmap; In dichloromethane; at 0 ℃; for 0.0833333h; Inert atmosphere;

With dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 18.5h; Inert atmosphere;

DOI:10.1021/ja211679v

Reference yield:

tert.-butylhydroperoxide (75-91-2) + Phenoxyacetyl chloride (701-99-5) → tert-butyl 2-phenoxyethaneperoxoate (5789-77-5)

Guidance literature:

With pyridine;

Reference yield:

→ tert-butyl 2-phenoxyethaneperoxoate (5789-77-5)

Guidance literature:

Saeurechlorid, Me3COOH/Py.;

upstream raw materials:

tert.-butylhydroperoxide

Phenoxyacetyl chloride

2-phenoxyacetic acid

Downstream raw materials:

fluoromethyl phenyl ether

dibenzenesulfonamide

1,3-dimethyl-3-(2-phenoxyethyl)indolin-2-one

Refernces

• 1、 Rueda-Becerril, Montserrat,Chatalova Sazepin, Claire,Leung, Joe C. T.,Okbinoglu, Tulin,Kennepohl, Pierre,Paquin, Jean-Francois,Sammis, Glenn M.. "Fluorine transfer to alkyl radicals". supporting information; experimental part. p. 4026 - 4029. Retrieved 2012/04/10.