[1,1'-Biphenyl]-2,2'-diol, 5,5'-bis(1,1-dimethylethyl)-3,3'-dimethyl-

Base Information

• Chemical Name: [1,1'-Biphenyl]-2,2'-diol, 5,5'-bis(1,1-dimethylethyl)-3,3'-dimethyl-
• CAS No.: 32569-81-6
• Molecular Formula: C22H30O2
• Molecular Weight: 326.479
• DSSTox Substance ID: DTXSID90482972
• Wikidata: Q82319870

Synonyms:32569-81-6;[1,1'-Biphenyl]-2,2'-diol, 5,5'-bis(1,1-dimethylethyl)-3,3'-dimethyl-;SCHEMBL19732817;DTXSID90482972

Chemical Property of [1,1'-Biphenyl]-2,2'-diol, 5,5'-bis(1,1-dimethylethyl)-3,3'-dimethyl-

Chemical Property:

• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 326.224580195
• Heavy Atom Count: 24
• Complexity: 377

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C(C)(C)C)C)O)C(C)(C)C

Technology Process of [1,1'-Biphenyl]-2,2'-diol, 5,5'-bis(1,1-dimethylethyl)-3,3'-dimethyl-

There total 2 articles about [1,1'-Biphenyl]-2,2'-diol, 5,5'-bis(1,1-dimethylethyl)-3,3'-dimethyl- 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:

2-Methyl-4-t-butylphenol (98-27-1) → 4',5-Di-tert-butyl-2-hydroxy-2',3-dimethyldiphenyl ether (37971-56-5) + 5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-dimethylbiphenyl (32569-81-6) + 2,5',10-tri-tert-butyl-3',4,8-trimethyldibenzo<1,3>-dioxepin-6-spirocyclohexa-3',5'-dien-2'-one (15175-44-7)

Guidance literature:

With oxygen; Cu(II)-N,N'-di-tert-butylethylenediamine; In methanol; at 25 ℃; under 760 Torr; Mechanism; Product distribution;

DOI:10.1021/jo00197a024

Reference yield:

2-Methyl-4-t-butylphenol (98-27-1) → 4',5-Di-tert-butyl-2-hydroxy-2',3-dimethyldiphenyl ether (37971-56-5) + 5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-dimethylbiphenyl (32569-81-6)

Guidance literature:

With di-tert-butyl peroxide; at 140 ℃; for 24h;

Reference yield: 72.0%

5,5'-Di-tert-butyl-2,2'-dihydroxy-3,3'-dimethylbiphenyl (32569-81-6) → tert-butylbenzene (253185-03-4,253185-04-5) + 3,3'-dimethyl-[1,1'-biphenyl]-2,2'-diol (32750-14-4)

Guidance literature:

With aluminium trichloride; In benzene; for 2h; Ambient temperature;

DOI:10.1021/jo00009a051

upstream raw materials:

2-Methyl-4-t-butylphenol

Downstream raw materials:

tert-butylbenzene

3,3'-dimethyl-[1,1'-biphenyl]-2,2'-diol

4,6-dimethyldibenzo[b,d]furan

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