4-tert-Butylphenyl acetate

Base Information

• Chemical Name: 4-tert-Butylphenyl acetate
• CAS No.: 3056-64-2
• Molecular Formula: C12H16 O2
• Molecular Weight: 192.258
• Hs Code.: 2915390090
• European Community (EC) Number: 221-288-6
• NSC Number: 6839
• UNII: JGF8N2D4JB
• DSSTox Substance ID: DTXSID50883941
• Nikkaji Number: J150.537H
• Wikidata: Q82862728
• ChEMBL ID: CHEMBL503707
• Mol file: 3056-64-2.mol

Synonyms:4-tert-Butylphenyl acetate;3056-64-2;4-(tert-Butyl)phenyl acetate;4-tert-Butylphenol acetate;(4-tert-butylphenyl) acetate;p-tert-Butylphenyl acetate;Acetic Acid 4-tert-Butylphenyl Ester;Phenol, 4-(1,1-dimethylethyl)-, 1-acetate;Phenol, 4-(1,1-dimethylethyl)-, acetate;AI3-18022;NSC 6839;NSC-6839;EINECS 221-288-6;Acetic acid p-tert-butylphenyl ester;4-t-butylphenyl acetate;JGF8N2D4JB;p-tert-Butylphenol acetate;SCHEMBL337701;CHEMBL503707;p - tert - butylphenyl acetate;DTXSID50883941;NSC6839;MFCD00026308;AKOS002710166;B0962;D88721;A876149

Chemical Property of 4-tert-Butylphenyl acetate

Chemical Property:

• Refractive Index: 1.4950-1.4980
• Boiling Point: 256.1°Cat760mmHg
• Flash Point: 96.9°C
• PSA: 26.30000
• Density: 0.992g/cm³
• LogP: 2.90940
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 195

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-tert-Butylphenyl Acetate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OC1=CC=C(C=C1)C(C)(C)C

Technology Process of 4-tert-Butylphenyl acetate

There total 16 articles about 4-tert-Butylphenyl 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: 99.0%

vinyl acetate (108-05-4,9003-20-7) + para-tert-butylphenol (98-54-4) → 4-(tert-butyl)phenyl acetate (3056-64-2)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; In neat (no solvent); at 70 - 140 ℃; for 0.183333h; Microwave irradiation;

DOI:10.1039/c5nj01436k

Reference yield: 99.0%

para-tert-butylphenol (98-54-4) + acetic anhydride (108-24-7) → 4-(tert-butyl)phenyl acetate (3056-64-2)

Guidance literature:

With Zn(N⁴,N^4'-di(pyridin-4-yl)biphenyl-4,4'-dicarboxamide)(5-aminoisophthalate); In dichloromethane; at 20 ℃; for 14h;

DOI:10.1039/c7nj02021j

Reference yield: 98.0%

(4-tert-butylphenyl)trimethylsilane (18412-68-5) + acetic acid (64-19-7,77671-22-8) → 4-(tert-butyl)phenyl acetate (3056-64-2)

Guidance literature:

With palladium diacetate; bis-[(trifluoroacetoxy)iodo]benzene; at 80 ℃; for 17h;

DOI:10.1021/acs.orglett.5b02336

upstream raw materials:

para-tert-butylphenol

acetic anhydride

acetyl chloride

4-acetyloxyacetophenone

Downstream raw materials:

para-tert-butylphenol

1-(5-tert-butyl-2-hydroxy-3-nitrophenyl)ethanone

Refernces

• 1、 Zhang, Dejin,Yang, Guoqiang,Xiong, Junping,Liu, Jia,Hu, Xingbang,Zhang, Zhibing. "An efficient method to prepare aryl acetates by the carbonylation of aryl methyl ethers or phenols". . p. 2683 - 2687. Retrieved 2021/02/16.
• 2、 Chen, Chun-Jen,Chien, Chia-Chen,Kao, Shih-Chieh,Wu, Yen-Ku. "Photo-Fries rearrangement in flow under aqueous micellar conditions". supporting information. p. 15470 - 15472. Retrieved 2020/12/25.