tert-Butyl 2-ethylperoxybutyrate

Base Information

• Chemical Name: tert-Butyl 2-ethylperoxybutyrate
• CAS No.: 2550-33-6
• Molecular Formula: C10H20 O3
• Molecular Weight: 188.267
• Hs Code.: 2918300090
• European Community (EC) Number: 219-850-0
• UN Number: 3113
• DSSTox Substance ID: DTXSID0074342
• Nikkaji Number: J192.046D
• Wikidata: Q82002712
• Mol file: 2550-33-6.mol

Synonyms:tert-Butyl 2-ethylperoxybutyrate;2550-33-6;tert-butyl 2-ethylbutaneperoxoate;Butaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester;EINECS 219-850-0;TERT-BUTYL PEROXYDIETHYLACETATE;tert-butyl2-ethylperoxybutyrate;SCHEMBL3068632;DTXSID0074342;2-Ethylbutaneperoxoic acid 1,1-dimethylethyl ester

Chemical Property of tert-Butyl 2-ethylperoxybutyrate

Chemical Property:

• Vapor Pressure: 0.207mmHg at 25°C
• Boiling Point: 209.1°Cat760mmHg
• Flash Point: 62.3°C
• PSA: 35.53000
• Density: 0.923g/cm³
• LogP: 2.69590
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 188.14124450
• Heavy Atom Count: 13
• Complexity: 154
• Transport DOT Label: Organic Peroxide

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC)C(=O)OOC(C)(C)C

Technology Process of tert-Butyl 2-ethylperoxybutyrate

There total 2 articles about tert-Butyl 2-ethylperoxybutyrate 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: 85.0%

tert.-butylhydroperoxide (75-91-2) + 2-Ethylbutanoic acid (88-09-5) → tert-butyl 2-ethylbutaneperoxoate (2550-33-6)

Guidance literature:

tert.-butylhydroperoxide; 2-Ethylbutanoic acid; In dichloromethane; water; at 0 ℃; for 0.166667h;

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; water; at 20 ℃; for 16h;

DOI:10.1021/acs.orglett.1c03366

Reference yield:

→ tert-butyl 2-ethylbutaneperoxoate (2550-33-6)

Guidance literature:

Et2CHCOCl, t-BuOOH, NaOH;

Reference yield: 94.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + tert-butyl 2-ethylbutaneperoxoate (2550-33-6) → (E)-β-(3-pentyl)styrene (40132-62-5)

Guidance literature:

With iron(III) trifluoromethanesulfonate; In tetrahydrofuran; at 100 ℃; for 5h; diastereoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/asia.201800534

upstream raw materials:

tert.-butylhydroperoxide

2-Ethylbutanoic acid

Downstream raw materials:

2-(pentan-3-yl)benzo[d]thiazole

(E)-β-(3-pentyl)styrene