2,4,6-Tri-tert-butyl-4-(2-hydroxyethoxy)cyclohexa-2,5-dien-1-one

Base Information

• Chemical Name: 2,4,6-Tri-tert-butyl-4-(2-hydroxyethoxy)cyclohexa-2,5-dien-1-one
• CAS No.: 73405-44-4
• Molecular Formula: C₂₀H₃₄O₃
• Molecular Weight: 322.488
• DSSTox Substance ID: DTXSID50502807

Synonyms:73405-44-4;DTXSID50502807;2,4,6-Tri-tert-butyl-4-(2-hydroxyethoxy)cyclohexa-2,5-dien-1-one

Chemical Property of 2,4,6-Tri-tert-butyl-4-(2-hydroxyethoxy)cyclohexa-2,5-dien-1-one

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 322.25079494
• Heavy Atom Count: 23
• Complexity: 483

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-Tri-tert-butyl-4-(2-hydroxyethoxy)cyclohexa-2,5-dien-1-one

There total 12 articles about 2,4,6-Tri-tert-butyl-4-(2-hydroxyethoxy)cyclohexa-2,5-dien-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: 45.0%

pyridine (110-86-1) + 4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one (1988-75-6) + ethylene glycol (107-21-1) → 2,6-Di-tert-butyl-1,4-benzoquinone (719-22-2) + 2,4,6-tri-tert-butylphenoxol (732-26-3) + 2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone (4971-61-3) + 1-(3,5-di-tert-butyl-2-hydroxyphenyl)pyridinium bromide (73405-43-3) + 2-(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadien-1-oxy)ethanol (73405-44-4)

Guidance literature:

at 110 ℃; for 1h; Product distribution; other pyridines, other cyclohexadienone;

DOI:10.1021/jo00335a026

Reference yield: 38.0%

4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one (1988-75-6) + ethylene glycol (107-21-1) → 2,6-Di-tert-butyl-1,4-benzoquinone (719-22-2) + 2,4,6-tri-tert-butyl-4-hydroxy-2,5-cyclohexadienone (4971-61-3) + 2-(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadien-1-oxy)ethanol (73405-44-4) + 1,2-Bis<(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadien-1-yl)oxy>ethane (78672-47-6)

Guidance literature:

With α-picoline; at 110 ℃; for 6h; Further byproducts given;

DOI:10.1021/jo00335a026

Reference yield: 37.0%

3,5-Lutidine (591-22-0) + 4-chloro-2,4,6-tri-tert-butylcyclohexa-2,5-dienone (5457-60-3) → 2-chloro-4,6-di-tert-butylphenol (4166-86-3) + 2-(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadien-1-oxy)ethanol (73405-44-4) + 1,2-Bis<(1,3,5-tri-tert-butyl-4-oxo-2,5-cyclohexadien-1-yl)oxy>ethane (78672-47-6) + 1-(3,5-Di-tert-butyl-2-hydroxy-phenyl)-3,5-dimethyl-pyridinium; chloride (78657-06-4)

Guidance literature:

In ethylene glycol; at 110 ℃; for 8h; Further byproducts given;

DOI:10.1021/jo00335a026

upstream raw materials:

pyridine

4-bromo-2,4,6-tri-tert-butyl-2,5-cyclohexadiene-1-one

ethylene glycol

1H-imidazole

Downstream raw materials:

(1,3,5-tri-tert-butyl-4-oxocyclohexa-2,5-dienyloxy)acetaldehyde

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