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Details

Stereochemistry ACHIRAL
Molecular Formula C14H22O2
Molecular Weight 222.3233
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,5-DI-TERT-BUTYLCATECHOL

SMILES

CC(C)(C)C1=CC(O)=C(O)C(=C1)C(C)(C)C

InChI

InChIKey=PJZLSMMERMMQBJ-UHFFFAOYSA-N
InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3

HIDE SMILES / InChI

Molecular Formula C14H22O2
Molecular Weight 222.3233
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Copper (II) complexes of the anti-inflammatory drug naproxen and 3-pyridylmethanol as auxiliary ligand. Characterization, superoxide dismutase and catecholase--mimetic activities.
2010-09
A functional model of extradiol-cleaving catechol dioxygenases: mimicking the 2-his-1-carboxylate facial triad.
2010-05-17
A unique nickel system having versatile catalytic activity of biological significance.
2010-04-05
Mono- and dinuclear manganese(III) complexes showing efficient catechol oxidase activity: syntheses, characterization and spectroscopic studies.
2009-10-28
Iron(III) complexes of tripodal monophenolate ligands as models for non-heme catechol dioxygenase enzymes: correlation of dioxygenase activity with ligand stereoelectronic properties.
2009-09-21
New family of ferric spin clusters incorporating redox-active ortho-dioxolene ligands.
2009-08-17
Structural, magnetic, electrochemical, catalytic, DNA binding and cleavage studies of new macrocyclic binuclear copper(II) complexes.
2009-03
Molecular structure and catechol oxidase activity of a new copper(I) complex with sterically crowded monodentate N-donor ligand.
2009-03
Redox activation of alkene ligands in platinum complexes with non-innocent ligands.
2009-01-19
A novel tripodal ligand containing three different N-heterocyclic donor functions and its application in catechol dioxygenase mimicking.
2009
Synthesis, structure, spectra and reactivity of iron(III) complexes of facially coordinating and sterically hindering 3N ligands as models for catechol dioxygenases.
2008-12-28
Mimicking the intradiol catechol cleavage activity of catechol dioxygenase by high-spin iron(III) complexes of a new class of a facially bound [N2O] ligand.
2008-12-15
Structural motifs of diiodine complexes with amides and thioamides.
2008-10-14
Catechol oxidase activity of a series of new dinuclear copper(II) complexes with 3,5-DTBC and TCC as substrates: syntheses, X-ray crystal structures, spectroscopic characterization of the adducts and kinetic studies.
2008-08-18
Novel iron(III) complexes of sterically hindered 4N ligands: regioselectivity in biomimetic extradiol cleavage of catechols.
2008-08-04
Oxidative C-H and C-C bond cleavage by a (2,2'-bipyridine)copper(I) chloride complex.
2008-07-21
Copper(II), nickel(II) and zinc(II) complexes of N-acetyl-His-Pro-His-His-NH2: equilibria, solution structure and enzyme mimicking.
2008-07
Binuclear copper(II) complexes with N4O3 coordinating heptadentate ligand: synthesis, structure, magnetic properties, density-functional theory study, and catecholase activity.
2008-05-19
Effect of water on the catalytic oxidation of catechols.
2008-04-16
Copper(ii) complexes of a polydentate imidazole-based ligand. pH effect on magnetic coupling and catecholase activity.
2008-04-14
Catechol oxidase and phenoxazinone synthase activity of a manganese(II) isoindoline complex.
2008-04
Macromolecular salen catalyst with largely enhanced catalytic activity.
2008-01-17
Oxidative double dehalogenation of tetrachlorocatechol by a bio-inspired CuII complex: formation of chloranilic acid.
2008
Iron(III) complexes of tridentate 3N ligands as functional models for catechol dioxygenases: the role of ligand N-alkyl substitution and solvent on reaction rate and product selectivity.
2007-11-26
Iron(III) complexes with a tripodal N3O ligand containing an internal base as a model for catechol intradiol-cleaving dioxygenases.
2007-10-29
Iron(III)-catecholato complexes as structural and functional models of the intradiol-cleaving catechol dioxygenases.
2007-10-01
Structure-catalytic function relationship of SiO2-immobilized mononuclear Cu complexes: an EPR study.
2007-09-25
A new tripodal iron(III) monophenolate complex: effects of ligand basicity, steric hindrance, and solvent on regioselective extradiol cleavage.
2007-07-23
Synthesis, characterization and properties of some divalent metal(II) complexes: their electrochemical, catalytic, thermal and antimicrobial activity studies.
2007-07
Synthesis, structure, redox properties and azide binding for a series of biphenyl-based Cu(II) complexes.
2007-06-28
Cyclometallated iridium and platinum complexes with noninnocent ligands.
2007-05-14
Mechanisms of the antispasmodic activity of 3,5-di-t-butyl catechol (DTCAT) on rat vascular smooth muscles.
2007-04-30
Catecholase activity of dicopper(II)-bispidine complexes: stabilities and structures of intermediates, kinetics and reaction mechanism.
2007-01
Biomimetic oxidation of 3,5-di-tert-butylcatechol by dioxygen via Mn-enhanced base catalysis.
2006-09-04
Iron(III) complexes of certain meridionally coordinating tridentate ligands as models for non-heme iron enzymes: the role of carboxylate coordination.
2006-09
Catecholase activity of a copper(II) complex with a macrocyclic ligand: unraveling catalytic mechanisms.
2006-08-07
New unsymmetric dinuclear Cu(II)Cu(II) complexes and their relevance to copper(II) containing metalloenzymes and DNA cleavage.
2006-05
Zeolite framework stabilized copper complex inspired by the 2-His-1-carboxylate facial triad motif yielding oxidation catalysts.
2006-03-15
Autoxidation-product-initiated dioxygenases: vanadium-based, record catalytic lifetime catechol dioxygenase catalysis.
2005-11-14
Kinetic and mechanistic studies of vanadium-based, extended catalytic lifetime catechol dioxygenases.
2005-10-12
Solution chemical properties and catecholase-like activity of the copper(II)-Ac-His-His-Gly-His-OH system, a relevant functional model for copper containing oxidases.
2005-10-07
Vanadium-based, extended catalytic lifetime catechol dioxygenases: evidence for a common catalyst.
2005-06-29
Aerobic catechol oxidation catalyzed by a bis(mu-oxo)dimanganese(III,III) complex via a manganese(II)-semiquinonate complex.
2005-05-16
Functional models for catechol dioxygenases: iron(III) complexes of cis-facially coordinating linear 3N ligands.
2005-05
3,5-di-t-butylcatechol (DTCAT) as an activator of rat skeletal muscle ryanodine receptor Ca2+ channel (RyRC).
2005-02-01
Hydrogen atom vs electron transfer in catecholase-mimetic oxidations by superoxometal complexes. Deuterium kinetic isotope effects.
2005-01-21
Characterization and biomimetic study of a hydroxo-bridged dinuclear phenanthroline cupric complex encapsulated in mesoporous silica: models for catechol oxidase.
2005-01-20
Dinuclear and mononuclear manganese(IV)-radical complexes and their catalytic catecholase activity.
2004-11-21
Iron(III) complexes of sterically hindered tetradentate monophenolate ligands as functional models for catechol 1,2-dioxygenases: the role of ligand stereoelectronic properties.
2004-10-04
Mechanistic insight into the catechol oxidase activity by a biomimetic dinuclear copper complex.
2004-10
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:15:51 GMT 2025
Edited
by admin
on Mon Mar 31 19:15:51 GMT 2025
Record UNII
1328KN3F8B
Record Status Validated (UNII)
Record Version
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Name Type Language
3,5-DI-TERT-BUTYLCATECHOL
Systematic Name English
NSC-59767
Preferred Name English
DI-TERT-BUTYLCATECHOL, 3,5-
Systematic Name English
Code System Code Type Description
NSC
59767
Created by admin on Mon Mar 31 19:15:51 GMT 2025 , Edited by admin on Mon Mar 31 19:15:51 GMT 2025
PRIMARY
PUBCHEM
66099
Created by admin on Mon Mar 31 19:15:51 GMT 2025 , Edited by admin on Mon Mar 31 19:15:51 GMT 2025
PRIMARY
CAS
1020-31-1
Created by admin on Mon Mar 31 19:15:51 GMT 2025 , Edited by admin on Mon Mar 31 19:15:51 GMT 2025
PRIMARY
ECHA (EC/EINECS)
213-816-9
Created by admin on Mon Mar 31 19:15:51 GMT 2025 , Edited by admin on Mon Mar 31 19:15:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID4061414
Created by admin on Mon Mar 31 19:15:51 GMT 2025 , Edited by admin on Mon Mar 31 19:15:51 GMT 2025
PRIMARY
FDA UNII
1328KN3F8B
Created by admin on Mon Mar 31 19:15:51 GMT 2025 , Edited by admin on Mon Mar 31 19:15:51 GMT 2025
PRIMARY