1-(4-tert-Butyl-2-hydroxyphenyl)ethan-1-one

Base Information

• Chemical Name: 1-(4-tert-Butyl-2-hydroxyphenyl)ethan-1-one
• CAS No.: 113027-08-0
• Molecular Formula: C12H16O2
• Molecular Weight: 192.258
• DSSTox Substance ID: DTXSID90555110
• Nikkaji Number: J714.334F
• Wikidata: Q82436346
• Mol file: 113027-08-0.mol

Synonyms:113027-08-0;1-(4-tert-Butyl-2-hydroxyphenyl)ethan-1-one;SCHEMBL4343478;DTXSID90555110;1-(4-(tert-Butyl)-2-hydroxyphenyl)ethanone

Chemical Property of 1-(4-tert-Butyl-2-hydroxyphenyl)ethan-1-one

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 192.115029749
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-tert-Butyl-2-hydroxyphenyl)ethan-1-one

There total 4 articles about 1-(4-tert-Butyl-2-hydroxyphenyl)ethan-1-one 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: 91.0%

C12H17NO2 (1206606-75-8) → 1-(4-tert-butyl-2-hydroxyphenyl)ethanone (113027-08-0)

Guidance literature:

With water; sodium hydrogensulfite; In ethanol; at 90 ℃; for 13h;

DOI:10.1021/ol902720d

Reference yield: 66.0%

3-tert-butylphenyol (585-34-2) + acetic acid (64-19-7,77671-22-8) → 1-(4-tert-butyl-2-hydroxyphenyl)ethanone (113027-08-0)

Guidance literature:

With hafnium tetrakis(trifluoromethanesulfonate); lithium perchlorate; In nitromethane; at 50 ℃; for 6h;

DOI:10.1016/0040-4039(96)00790-3

Reference yield: 60.0%

3-(tert-butyl)phenyl acetate (13189-51-0) → 1-(4-tert-butyl-2-hydroxyphenyl)ethanone (113027-08-0)

Guidance literature:

With hafnium(IV) trifluoromethanesulfonate; lithium perchlorate; In nitromethane; at 50 ℃; for 6h;

DOI:10.1016/0040-4039(96)00216-X DOI:10.1246/bcsj.70.267

upstream raw materials:

3-(tert-butyl)phenyl acetate

3-tert-butylphenyol

acetic acid

C₁₂H₁₇NO₂

Downstream raw materials:

C₁₂H₁₈O₂

4-(7-tert-Butyl-4-oxo-4H-chromen-2-yl)-benzoic acid methyl ester