3,5-Di-tert-butyl-2-hydroxy-(3',4'-dimethyl)benzophenone

Base Information

• Chemical Name: 3,5-Di-tert-butyl-2-hydroxy-(3',4'-dimethyl)benzophenone
• CAS No.: 252961-15-2
• Molecular Formula: C₂₃H₃₀O₂
• Molecular Weight: 338.49
• UNII: 1WAX7LM21L
• Nikkaji Number: J2.094.278I
• Wikidata: Q27252987

Synonyms:1WAX7LM21L;3,5-Di-tert-butyl-2-hydroxy-(3',4'-dimethyl)benzophenone;UNII-1WAX7LM21L;252961-15-2;(3,5-Bis(1,1-dimethylethyl)-2-hydroxyphenyl)(3,4-dimethylphenyl)methanone;Methanone, (3,5-bis(1,1-dimethylethyl)-2-hydroxyphenyl)(3,4-dimethylphenyl)-;SCHEMBL5989708;Q27252987

Chemical Property of 3,5-Di-tert-butyl-2-hydroxy-(3',4'-dimethyl)benzophenone

Chemical Property:

• XLogP3: 7.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 338.224580195
• Heavy Atom Count: 25
• Complexity: 468

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O)C

Technology Process of 3,5-Di-tert-butyl-2-hydroxy-(3',4'-dimethyl)benzophenone

There total 2 articles about 3,5-Di-tert-butyl-2-hydroxy-(3',4'-dimethyl)benzophenone 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: 80.0%

5,7-di-tert-butyl-3-(3,4-dimethyl-phenyl)-3H-benzofuran-2-one (164391-52-0) → 3,5-di-tert-butyl-2-hydroxy-phenyl-(3,4-dimethyl-phenyl)-methanone (252961-15-2)

Guidance literature:

With tert.-butylhydroperoxide; sodium carbonate; nickel dichloride; In toluene; at 80 ℃; for 12h; Schlenk technique;

DOI:10.1021/acs.joc.0c00858

Reference yield:

(3,5-di-tert-butyl-2-hydroxy-phenyl)-(3,4-dimethyl-phenyl)-acetic acid → 3,5-di-tert-butyl-2-hydroxy-phenyl-(3,4-dimethyl-phenyl)-methanone (252961-15-2)

Guidance literature:

With sodium hydroxide; potassium hexacyanoperferrate; In water; toluene; at 70 ℃; for 5h;

DOI:10.1081/SCC-200026225

Reference yield:

3,5-di-tert-butyl-2-hydroxy-phenyl-(3,4-dimethyl-phenyl)-methanone (252961-15-2) → 2,4-di-tert-butyl-6-(3,4-dimethylbenzylidene)-cyclohexa-2,4-dienone

Guidance literature:

With toluene-4-sulfonic acid; In tetrahydrofuran; isopropyl alcohol;

upstream raw materials:

5,7-di-tert-butyl-3-(3,4-dimethyl-phenyl)-3H-benzofuran-2-one

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