p-(tert-Butyl)benzyl acetate

Base Information

• Chemical Name: p-(tert-Butyl)benzyl acetate
• CAS No.: 67364-88-9
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• European Community (EC) Number: 266-669-8
• DSSTox Substance ID: DTXSID20886828
• Nikkaji Number: J310.237H
• Wikidata: Q82865762
• Mol file: 67364-88-9.mol

Synonyms:p-(tert-Butyl)benzyl acetate;4-tert-butylbenzyl acetate;67364-88-9;Benzenemethanol, 4-(1,1-dimethylethyl)-, acetate;EINECS 266-669-8;Benzenemethanol, 4-(1,1-dimethylethyl)-, 1-acetate;Acetic acid, p-(tert-butyl)benzyl ester;(4-tert-butylphenyl)methyl acetate;p-tert.-butylbenzyl acetate;SCHEMBL2092731;DTXSID20886828;Acetic acid 4-tert-butylbenzyl ester;AKOS024322551

Chemical Property of p-(tert-Butyl)benzyl acetate

Chemical Property:

• Vapor Pressure: 0.00898mmHg at 25°C
• Boiling Point: 265.8°C at 760 mmHg
• Flash Point: 97°C
• PSA: 26.30000
• Density: 0.987g/cm³
• LogP: 3.04720
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1=CC=C(C=C1)C(C)(C)C

Technology Process of p-(tert-Butyl)benzyl acetate

There total 27 articles about p-(tert-Butyl)benzyl acetate 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: 98.0%

p-tert-butylbenzyl alcohol (877-65-6) + acetic anhydride (108-24-7) → 4-tert-butylbenzyl acetate (67364-88-9) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

With 3-((3-(trisilyloxy)propyl)propionamide)-1-methylimidazolium chloride ionic liquid supported on magnetic nanoparticle Fe₂O₃; at 20 ℃; for 1h;

DOI:10.1016/j.jmmm.2015.10.044

Reference yield: 98.0%

p-tert-butylbenzyl alcohol (877-65-6) + acetic anhydride (108-24-7) → 4-tert-butylbenzyl acetate (67364-88-9)

Guidance literature:

With polyvinylpolypyrrolidone-bound boron trifluoride; In acetonitrile; at 20 ℃; for 1.5h;

DOI:10.1016/j.crci.2012.01.011

Reference yield: 98.0%

p-tert-butylbenzyl alcohol (877-65-6) → 4-tert-butylbenzyl acetate (67364-88-9)

Guidance literature:

With phenyl-trimethyl-ammonium perbromide; In acetone; at 20 ℃; for 1h;

DOI:10.1134/S1070428013120026

upstream raw materials:

4-tert-butyltoluene

lead(IV) tetraacetate

acetic acid

1,1-bis(4-t-butylphenyl)methane

Refernces

• 1、 Senaweera, Sameera,Cartwright, Kaitie C.,Tunge, Jon A.. "Decarboxylative Acetoxylation of Aliphatic Carboxylic Acids". . p. 12553 - 12561. Retrieved 2019/10/14.
• 2、 Stach, Tanja,Dr?ger, Julia,Huy, Peter H.. "Nucleophilic Substitutions of Alcohols in High Levels of Catalytic Efficiency". supporting information. p. 2980 - 2983. Retrieved 2018/05/28.