2,2',3,3',5,5'-Hexamethyl-4,4'-dihydroxybiphenyl

Base Information

• Chemical Name: 2,2',3,3',5,5'-Hexamethyl-4,4'-dihydroxybiphenyl
• CAS No.: 19956-76-4
• Molecular Formula: C18H22O2
• Molecular Weight: 270.371
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID50350860
• Nikkaji Number: J150.576I
• Wikidata: Q72482143
• Mol file: 19956-76-4.mol

Synonyms:19956-76-4;2,2',3,3',5,5'-HEXAMETHYL-4,4'-DIHYDROXYBIPHENYL;4,4'-Bi[2,3,6-trimethylphenol];2,2',3,3',5,5'-hexamethyl-[1,1'-biphenyl]-4,4'-diol;4-(4-hydroxy-2,3,5-trimethylphenyl)-2,3,6-trimethylphenol;[1,1'-Biphenyl]-4,4'-diol, 2,2',3,3',5,5'-hexamethyl-;SCHEMBL1176388;DTXSID50350860;MFCD00274654;AKOS032948066;AS-69318;CS-0159349;D5280;FT-0700682;I12072;2,2',3,3',6,6'-hexamethyl-4,4'-biphenol;4,4'-Dihydroxy-2,2',3,3',5,5'-hexamethylbiphenyl;2,2',3,3',5,5'-Hexamethyl[1,1'-biphenyl]-4,4'-diol;2,2',3,3',5,5'-Hexamethyl-[1,1'-biphenyl]-4,4'-diol, 99%

Chemical Property of 2,2',3,3',5,5'-Hexamethyl-4,4'-dihydroxybiphenyl

Chemical Property:

• Melting Point: 229 °C
• Boiling Point: 362.6±37.0 °C(Predicted)
• PKA: 10.35±0.45(Predicted)
• PSA: 40.46000
• Density: 1.084
• LogP: 4.61520
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 270.161979940
• Heavy Atom Count: 20
• Complexity: 297

Purity/Quality:

97% ^*data from raw suppliers

4,4'-Dihydroxy-2,2',3,3',5,5'-hexamethylbiphenyl >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2',3,3',5,5'-Hexamethyl-4,4'-dihydroxybiphenyl

There total 11 articles about 2,2',3,3',5,5'-Hexamethyl-4,4'-dihydroxybiphenyl 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: 92.5%

2,3,6-trimethylphenol (2416-94-6) → 2,3,5-Trimethyl-1,4-benzoquinone (935-92-2) + 2,2',3,3',5,5'-hexamethyl-(1,1'-biphenyl)-4,4'-diol (19956-76-4)

Guidance literature:

With copper(II) choride dihydrate; iron(III) chloride hexahydrate; In i-Amyl alcohol; water; at 90 ℃; for 13.5h; under 760.051 Torr; Reagent/catalyst; Temperature; Catalytic behavior; Green chemistry;

DOI:10.1007/s11164-021-04500-z

Reference yield: 89.0%

2,3,6-trimethylphenol (2416-94-6) → 2,2',3,3',5,5'-hexamethyl-(1,1'-biphenyl)-4,4'-diol (19956-76-4)

Guidance literature:

2,3,6-trimethylphenol; With sodium hydroxide; oxygen; sodium dodecyl-sulfate; copper diacetate; In water; at 60 - 85 ℃; under 367.786 Torr; pH=12.8 - 13.1;

With hydrogenchloride; In water;

Reference yield: 80.0%

2,3,6-trimethylphenol (2416-94-6) → 2,3,5-Trimethyl-1,4-benzoquinone (935-92-2) + 2,3,6-trimethyl-2,3-epoxy-1,4-benzoquinone (32445-02-6) + 2,5,6-trimethyl-2,3-epoxy-1,4-benzoquinone (335157-94-3) + 2,2',3,3',5,5'-hexamethyl-(1,1'-biphenyl)-4,4'-diol (19956-76-4)

Guidance literature:

With tert.-butylhydroperoxide; In acetonitrile; at 35 ℃; Temperature; Concentration; Mechanism; Kinetics;

DOI:10.1039/b821534k

upstream raw materials:

2,3,6-trimethylphenol