2,6-Di-tert-butylhydroquinone

Base Information

• Chemical Name: 2,6-Di-tert-butylhydroquinone
• CAS No.: 2444-28-2
• Deprecated CAS: 31393-01-8
• Molecular Formula: C14H22O2
• Molecular Weight: 222.327
• Hs Code.: 2907299090
• European Community (EC) Number: 219-481-5
• UNII: RW7RBM89DC
• DSSTox Substance ID: DTXSID5062423
• Nikkaji Number: J102.803K
• Wikidata: Q27075212
• Metabolomics Workbench ID: 48879
• ChEMBL ID: CHEMBL375695
• Mol file: 2444-28-2.mol

Synonyms:2,6-Di-tert-butylhydroquinone;2444-28-2;2,6-di-tert-butylbenzene-1,4-diol;1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-;2,6-ditert-butylbenzene-1,4-diol;2,6-Di-tert-butyl-1,4-benzenediol;2,6-Di-tert-butyl-hydroquinone;Hydroquinone, 2,6-di-tert-butyl-;UNII-RW7RBM89DC;RW7RBM89DC;2,6-di-t-butylhydroquinone;EINECS 219-481-5;2,6-Di-tert-butyl-1,4-dihydroxybenzene;D0M5LP;2,5-ditertbutylhydroquinone;Oprea1_865590;SCHEMBL39962;2,6-di(t-butyl)hydroquinone;3,5-Di-tert-butylhydroquinone;CHEMBL375695;GTPL5486;2,6-di tert.butyl hydroquinone;2,6-di-tert.butyl-hydroquinone;DTXSID5062423;CHEBI:174144;CAA44428;MFCD00458424;STK365476;AKOS005442455;2,6-Ditert-butyl-1,4-benzenediol #;2,6-DI-TERT-BUTYL-P-HYDROQUINONE;SY264943;2,6-DI-TERT-BUTYLBENZOHYDROQUINONE;CS-0260246;2,6-DI-TERT-BUTYL-1,4-HYDROQUINONE;3,5-DI-TERT-BUTYL-1,4-HYDROQUINONE;2,6-Bis(1,1-dimethylethyl)-1,4-Benzenediol;EN300-7472373;2,6-Bis(1,1-dimethylethyl)-1,4-benzenediol, 9CI;Q27075212

Chemical Property of 2,6-Di-tert-butylhydroquinone

Chemical Property:

• Vapor Pressure: 0.000271mmHg at 25°C
• Melting Point: 101.5-102.5 °C
• Boiling Point: 313.3oC at 760 mmHg
• PKA: 10.95±0.23(Predicted)
• Flash Point: 138.8oC
• PSA: 40.46000
• Density: 1.012 g/cm3
• LogP: 3.69280
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 222.161979940
• Heavy Atom Count: 16
• Complexity: 210

Purity/Quality:

99% ^*data from raw suppliers

2,6-DI-TERT-BUTYLBENZENE-1,4-DIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)O
• Uses: 2,6-Bis(1,1-dimethylethyl)-1,4-benzenediol can be used in the identification of urinary tract infection-causing bacteria and their antibiotic susceptibility. It is also useful in studies of sarco-endoplasmic reticulum ATPase inhibition.

Technology Process of 2,6-Di-tert-butylhydroquinone

There total 36 articles about 2,6-Di-tert-butylhydroquinone 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: 97.0%

2,6-di-tert-butylphenol (128-39-2) + 2,6-Di-tert-butyl-1,4-benzoquinone (719-22-2) → 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2)

Guidance literature:

With hydrogen bromide; dihydrogen peroxide; palladium-carbon; In methanol;

Reference yield: 78.0%

2,6-di-tert-butylphenol (128-39-2) → 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + 2,6-Di-tert-butyl-1,4-benzoquinone (719-22-2) + 3,5,3',5'-tetra-tert-butyl-4,4'-diphenoquinone (2455-14-3,74978-25-9)

Guidance literature:

With C₃₄H₂₄Cl₄Cu₂FeN₁₀O₄^(1-)*C₈H₂₀N⁽¹⁺⁾; oxygen; sodium hydroxide; In methanol; at 25 ℃; for 6h;

DOI:10.1002/ejic.201400066

Reference yield: 68.0%

2,6-di-tert-butylphenol (128-39-2) → 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2)

Guidance literature:

With water; bromine; silver perchlorate; at 0 ℃; for 0.05h;

DOI:10.1021/jo9609945

upstream raw materials:

2,6-Di-tert-butyl-1,4-benzoquinone

2,4,6,2',4',6'-hexa-tert-butyl-4,4'-peroxy-bis-cyclohexa-2,5-dienone

methanol

4-bromo-4-(1-hydroxypropyl)-2,6-di-t-butylcyclohexa-2,5-dienone

Downstream raw materials:

4-(Diphenylphosphonooxy)-2,6-di-tert.-butyl-phenol

para-methoxy-2,6-di-tert-butylphenol

4-Trimethylacetoxy-2,6-di-tert.-butyl-phenol

5-{4-[6-(3,5-Di-t-butyl-4-hydroxyphenoxy)-1-methyl-1H-benzimidazole-2-ylmethoxy]benzyl}thiazolidine-2,4-dione hydrochloride

Refernces

• 1、 Brennessel, William W.,Fertig, Alex A.,Matson, Ellen M.,McKone, James R.. "Concerted Multiproton-Multielectron Transfer for the Reduction of O2to H2O with a Polyoxovanadate Cluster". . p. 15756 - 15768. Retrieved 2021/10/02.
• 2、 Mai, Fuhang,Cui, Kai,Wen, Zhe,Wu, Kai,Yan, Fei,Chen, Mengmeng,Chen, Hong,Li, Yongdan. "Highly selective conversion of guaiacol to: Tert -butylphenols in supercritical ethanol over a H2WO4 catalyst". . p. 2764 - 2771. Retrieved 2019/02/01.