4-Acetoxy-2-tert-butylphenol

Base Information

• Chemical Name: 4-Acetoxy-2-tert-butylphenol
• CAS No.: 717-47-5
• Deprecated CAS: 81313-43-1
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• NSC Number: 407990
• UNII: X6G79J7HKQ
• DSSTox Substance ID: DTXSID8061050
• Nikkaji Number: J421.525G
• Wikidata: Q81989283
• Mol file: 717-47-5.mol

Synonyms:4-Acetoxy-2-tert-butylphenol;717-47-5;1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4-acetate;X6G79J7HKQ;tert-Butylhydroquinone 4-acetate;NSC 407990;NSC-407990;NSC407990;(3-tert-butyl-4-hydroxyphenyl) acetate;UNII-X6G79J7HKQ;DTXSID8061050;SCHEMBL11143326;3-tert-butyl-4-hydroxyphenyl acetate;1, 2-(1,1-dimethylethyl)-, 4-acetate;HYDROQUINONE, TERT-BUTYL-, 4-ACETATE;2-(1,1-Dimethylethyl)-1,4-benzenediol 4-acetate

Chemical Property of 4-Acetoxy-2-tert-butylphenol

Chemical Property:

• Vapor Pressure: 0.000536mmHg at 25°C
• Boiling Point: 302.9°C at 760 mmHg
• Flash Point: 122°C
• PSA: 46.53000
• Density: 1.083g/cm³
• LogP: 2.61500
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Acetoxy-2-tert-butylphenol

There total 2 articles about 4-Acetoxy-2-tert-butylphenol 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%

acetic anhydride (108-24-7) + tert-butylhydroquinone (1948-33-0) → 4-acetoxy-2-tert-butylphenol (717-47-5,81313-43-1)

Guidance literature:

With pyridine; at 85 ℃; for 10h;

DOI:10.1016/j.tetlet.2010.02.113

Reference yield: 37.0%

2-tert-butyl-1,4-phenylene diacetate (7507-48-4) + tert-butylhydroquinone (1948-33-0) → t-butyl-4-hydroxy-phenyl acetate (216314-06-6) + 4-acetoxy-2-tert-butylphenol (717-47-5,81313-43-1)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 25 ℃; for 1h; Green chemistry;

DOI:10.1016/j.tet.2016.05.048

Reference yield: 100.0%

3,4-dihydro-2H-pyran (110-87-2) + 4-acetoxy-2-tert-butylphenol (717-47-5,81313-43-1) → C17H24O4 (1227743-08-9)

Guidance literature:

With pyridinium p-toluenesulfonate; In dichloromethane; at 66 ℃; for 8h;

DOI:10.1016/j.tetlet.2010.02.113

upstream raw materials:

acetic anhydride

tert-butylhydroquinone

2-tert-butyl-1,4-phenylene diacetate

Downstream raw materials:

C₁₇H₂₄O₄