4-Bromo-4-(1-bromo-3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-yl)-2,6-ditert-butylcyclohexa-2,5-dien-1-one

Base Information

• Chemical Name: 4-Bromo-4-(1-bromo-3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-yl)-2,6-ditert-butylcyclohexa-2,5-dien-1-one
• CAS No.: 2179-38-6
• Molecular Formula: C₂₈H₄₀Br₂O₂
• Molecular Weight: 568.432
• DSSTox Substance ID: DTXSID001123990
• Nikkaji Number: J338.999E

Synonyms:DTXSID001123990;2179-38-6;1,1'-Dibromo-3,3',5,5'-tetrakis(1,1-dimethylethyl)[bi-2,5-cyclohexadien-1-yl]-4,4'-dione

Chemical Property of 4-Bromo-4-(1-bromo-3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-yl)-2,6-ditert-butylcyclohexa-2,5-dien-1-one

Chemical Property:

• XLogP3: 9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 568.13746
• Heavy Atom Count: 32
• Complexity: 811

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)(C2(C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)Br)Br

Technology Process of 4-Bromo-4-(1-bromo-3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-yl)-2,6-ditert-butylcyclohexa-2,5-dien-1-one

There total 2 articles about 4-Bromo-4-(1-bromo-3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-yl)-2,6-ditert-butylcyclohexa-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: 60.0%

4-bromo-2,6-di-tert-butylphenol (1139-52-2) → bis(1-bromo-3,5-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-yl) (2179-38-6) + N-(2,4-Dichloro-6-hydroxy-phenyl)-4-nitro-benzamide (90368-44-8)

Guidance literature:

With N-(2',4'-dichloro-6'-oxo-2',4'-cyclohexadien-1'-ylidene)-4-nitrobenzamide; In dichloromethane; for 48h;

DOI:10.1021/jo00300a018

Reference yield: 16.0%

4-bromo-2,6-di-tert-butylphenol (1139-52-2) → 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone (2455-14-3,74978-25-9) + bis(1-bromo-3,5-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-yl) (2179-38-6)

Guidance literature:

With dihydrogen peroxide; iodine; In methanol; water; at 35 ℃; Product distribution;

DOI:10.1021/jo951455n

Reference yield:

bis(1-bromo-3,5-di-tert-butyl-4-oxo-2,5-cyclohexadien-1-yl) (2179-38-6) → 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone (2455-14-3,74978-25-9)

Guidance literature:

In chloroform;

DOI:10.1021/jo00300a018

upstream raw materials:

4-bromo-2,6-di-tert-butylphenol

Downstream raw materials:

3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone

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