200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 1020-31-1
1020-31-1 | 1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-
CAS No: 1020-31-1 Catalog No: AG000692 MDL No:MFCD00008819
Product Description
Catalog Number:
AG000692
Chemical Name:
1,2-Benzenediol, 3,5-bis(1,1-dimethylethyl)-
CAS Number:
1020-31-1
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
MDL Number:
MFCD00008819
IUPAC Name:
3,5-ditert-butylbenzene-1,2-diol
InChI:
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
InChI Key:
PJZLSMMERMMQBJ-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
EC Number:
213-816-9
UNII:
1328KN3F8B
NSC Number:
59767
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.162g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.328g/mol
Monoisotopic Mass:
222.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Insertion of a hydroxido bridge into a diphenoxido dinuclear copper(II) complex: drastic change of the magnetic property from strong antiferromagnetic to ferromagnetic and enhancement in the catecholase activity. | Inorganic chemistry 20121001 |
| Radical pathway in catecholase activity with zinc-based model complexes of compartmental ligands. | Inorganic chemistry 20120820 |
| Synthesis, crystal structures, magnetic properties and catecholase activity of double phenoxido-bridged penta-coordinated dinuclear nickel(II) complexes derived from reduced Schiff-base ligands: mechanistic inference of catecholase activity. | Inorganic chemistry 20120806 |
| 3,5-Di-t-butyl catechol is a potent human ryanodine receptor 1 activator, not suitable for the diagnosis of malignant hyperthermia susceptibility. | Pharmacological research 20120701 |
| Mechanistic insight on the catecholase activity of dinuclear copper complexes with distant metal centers. | Dalton transactions (Cambridge, England : 2003) 20120428 |
| Antiferromagnetic porous metal-organic framework containing mixed-valence [Mn(II)4Mn(III)2(μ4-O)2]10+ units with catecholase activity and selective gas adsorption. | Inorganic chemistry 20120402 |
| Synthesis, magnetostructural correlation, and catalytic promiscuity of unsymmetric dinuclear copper(II) complexes: models for catechol oxidases and hydrolases. | Inorganic chemistry 20120206 |
| Iron(III) complexes of N2O and N3O donor ligands as functional models for catechol dioxygenase enzymes: ether oxygen coordination tunes the regioselectivity and reactivity. | Dalton transactions (Cambridge, England : 2003) 20110828 |
| Heterobridged dinuclear, tetranuclear, dinuclear-based 1-d, and heptanuclear-based 1-D complexes of copper(II) derived from a dinucleating ligand: syntheses, structures, magnetochemistry, spectroscopy, and catecholase activity. | Inorganic chemistry 20110815 |
| Immobilization of MP-11 into a mesoporous metal-organic framework, MP-11@mesoMOF: a new platform for enzymatic catalysis. | Journal of the American Chemical Society 20110713 |
| Discovery of novel SERCA inhibitors by virtual screening of a large compound library. | European journal of medicinal chemistry 20110501 |
| Mononuclear iron(III) complexes of 3N ligands in organized assemblies: spectral and redox properties and attainment of regioselective extradiol dioxygenase activity. | Dalton transactions (Cambridge, England : 2003) 20110307 |
| Copper (II) complexes of the anti-inflammatory drug naproxen and 3-pyridylmethanol as auxiliary ligand. Characterization, superoxide dismutase and catecholase--mimetic activities. | European journal of medicinal chemistry 20100901 |
| A functional model of extradiol-cleaving catechol dioxygenases: mimicking the 2-his-1-carboxylate facial triad. | Inorganic chemistry 20100517 |
| A unique nickel system having versatile catalytic activity of biological significance. | Inorganic chemistry 20100405 |
| An artificial di-iron oxo-protein with phenol oxidase activity. | Nature chemical biology 20091201 |
| Mono- and dinuclear manganese(III) complexes showing efficient catechol oxidase activity: syntheses, characterization and spectroscopic studies. | Dalton transactions (Cambridge, England : 2003) 20091028 |
| Iron(III) complexes of tripodal monophenolate ligands as models for non-heme catechol dioxygenase enzymes: correlation of dioxygenase activity with ligand stereoelectronic properties. | Inorganic chemistry 20090921 |
| New family of ferric spin clusters incorporating redox-active ortho-dioxolene ligands. | Inorganic chemistry 20090817 |
| Molecular structure and catechol oxidase activity of a new copper(I) complex with sterically crowded monodentate N-donor ligand. | Journal of inorganic biochemistry 20090301 |
| Structural, magnetic, electrochemical, catalytic, DNA binding and cleavage studies of new macrocyclic binuclear copper(II) complexes. | Journal of inorganic biochemistry 20090301 |
| Redox activation of alkene ligands in platinum complexes with non-innocent ligands. | Inorganic chemistry 20090119 |
| A novel tripodal ligand containing three different N-heterocyclic donor functions and its application in catechol dioxygenase mimicking. | Chemistry (Weinheim an der Bergstrasse, Germany) 20090101 |
| Synthesis, structure, spectra and reactivity of iron(III) complexes of facially coordinating and sterically hindering 3N ligands as models for catechol dioxygenases. | Dalton transactions (Cambridge, England : 2003) 20081228 |
| 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. | Inorganic chemistry 20081215 |
| Structural motifs of diiodine complexes with amides and thioamides. | Dalton transactions (Cambridge, England : 2003) 20081014 |
| 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. | Inorganic chemistry 20080818 |
| Novel iron(III) complexes of sterically hindered 4N ligands: regioselectivity in biomimetic extradiol cleavage of catechols. | Inorganic chemistry 20080804 |
| Oxidative C-H and C-C bond cleavage by a (2,2'-bipyridine)copper(I) chloride complex. | Inorganic chemistry 20080721 |
| Copper(II), nickel(II) and zinc(II) complexes of N-acetyl-His-Pro-His-His-NH2: equilibria, solution structure and enzyme mimicking. | Journal of inorganic biochemistry 20080701 |
| Binuclear copper(II) complexes with N4O3 coordinating heptadentate ligand: synthesis, structure, magnetic properties, density-functional theory study, and catecholase activity. | Inorganic chemistry 20080519 |
| Effect of water on the catalytic oxidation of catechols. | Journal of the American Chemical Society 20080416 |
| Copper(ii) complexes of a polydentate imidazole-based ligand. pH effect on magnetic coupling and catecholase activity. | Dalton transactions (Cambridge, England : 2003) 20080414 |
| Catechol oxidase and phenoxazinone synthase activity of a manganese(II) isoindoline complex. | Journal of inorganic biochemistry 20080401 |
| Macromolecular salen catalyst with largely enhanced catalytic activity. | Organic letters 20080117 |
| Oxidative double dehalogenation of tetrachlorocatechol by a bio-inspired CuII complex: formation of chloranilic acid. | Chemistry (Weinheim an der Bergstrasse, Germany) 20080101 |
| 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. | Inorganic chemistry 20071126 |
| Iron(III) complexes with a tripodal N3O ligand containing an internal base as a model for catechol intradiol-cleaving dioxygenases. | Inorganic chemistry 20071029 |
| Iron(III)-catecholato complexes as structural and functional models of the intradiol-cleaving catechol dioxygenases. | Inorganic chemistry 20071001 |
| Structure-catalytic function relationship of SiO2-immobilized mononuclear Cu complexes: an EPR study. | Langmuir : the ACS journal of surfaces and colloids 20070925 |
| A new tripodal iron(III) monophenolate complex: effects of ligand basicity, steric hindrance, and solvent on regioselective extradiol cleavage. | Inorganic chemistry 20070723 |
| Synthesis, characterization and properties of some divalent metal(II) complexes: their electrochemical, catalytic, thermal and antimicrobial activity studies. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070701 |
| Synthesis, structure, redox properties and azide binding for a series of biphenyl-based Cu(II) complexes. | Dalton transactions (Cambridge, England : 2003) 20070628 |
| Cyclometallated iridium and platinum complexes with noninnocent ligands. | Inorganic chemistry 20070514 |
| Mechanisms of the antispasmodic activity of 3,5-di-t-butyl catechol (DTCAT) on rat vascular smooth muscles. | European journal of pharmacology 20070430 |
| Catecholase activity of dicopper(II)-bispidine complexes: stabilities and structures of intermediates, kinetics and reaction mechanism. | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20070101 |
| Biomimetic oxidation of 3,5-di-tert-butylcatechol by dioxygen via Mn-enhanced base catalysis. | Inorganic chemistry 20060904 |
| Iron(III) complexes of certain meridionally coordinating tridentate ligands as models for non-heme iron enzymes: the role of carboxylate coordination. | Journal of inorganic biochemistry 20060901 |
| Catecholase activity of a copper(II) complex with a macrocyclic ligand: unraveling catalytic mechanisms. | Chemistry (Weinheim an der Bergstrasse, Germany) 20060807 |
| New unsymmetric dinuclear Cu(II)Cu(II) complexes and their relevance to copper(II) containing metalloenzymes and DNA cleavage. | Journal of inorganic biochemistry 20060501 |
| Zeolite framework stabilized copper complex inspired by the 2-His-1-carboxylate facial triad motif yielding oxidation catalysts. | Journal of the American Chemical Society 20060315 |
| Autoxidation-product-initiated dioxygenases: vanadium-based, record catalytic lifetime catechol dioxygenase catalysis. | Inorganic chemistry 20051114 |
| Kinetic and mechanistic studies of vanadium-based, extended catalytic lifetime catechol dioxygenases. | Journal of the American Chemical Society 20051012 |
| 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. | Dalton transactions (Cambridge, England : 2003) 20051007 |
| Vanadium-based, extended catalytic lifetime catechol dioxygenases: evidence for a common catalyst. | Journal of the American Chemical Society 20050629 |
| Aerobic catechol oxidation catalyzed by a bis(mu-oxo)dimanganese(III,III) complex via a manganese(II)-semiquinonate complex. | Inorganic chemistry 20050516 |
| Functional models for catechol dioxygenases: iron(III) complexes of cis-facially coordinating linear 3N ligands. | Journal of inorganic biochemistry 20050501 |
| 3,5-di-t-butylcatechol (DTCAT) as an activator of rat skeletal muscle ryanodine receptor Ca2+ channel (RyRC). | Biochemical pharmacology 20050201 |
| Hydrogen atom vs electron transfer in catecholase-mimetic oxidations by superoxometal complexes. Deuterium kinetic isotope effects. | Dalton transactions (Cambridge, England : 2003) 20050121 |
| Characterization and biomimetic study of a hydroxo-bridged dinuclear phenanthroline cupric complex encapsulated in mesoporous silica: models for catechol oxidase. | The journal of physical chemistry. B 20050120 |
| Dinuclear and mononuclear manganese(IV)-radical complexes and their catalytic catecholase activity. | Dalton transactions (Cambridge, England : 2003) 20041121 |
| Iron(III) complexes of sterically hindered tetradentate monophenolate ligands as functional models for catechol 1,2-dioxygenases: the role of ligand stereoelectronic properties. | Inorganic chemistry 20041004 |
| Mechanistic insight into the catechol oxidase activity by a biomimetic dinuclear copper complex. | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20041001 |
| Unique example of flexible phenol coordination in mononuclear manganese compounds. | Dalton transactions (Cambridge, England : 2003) 20040507 |
| A critical evaluation of the factors determining the effect of intramolecular hydrogen bonding on the O-H bond dissociation enthalpy of catechol and of flavonoid antioxidants. | Chemistry (Weinheim an der Bergstrasse, Germany) 20040220 |
| Syntheses, structural properties and catecholase activity of copper(II) complexes with reduced Schiff base N-(2-hydroxybenzyl)-amino acids. | Dalton transactions (Cambridge, England : 2003) 20040107 |
| Novel iron(III) complexes of tripodal and linear tetradentate bis(phenolate) ligands: close relevance to intradiol-cleaving catechol dioxygenases. | Inorganic chemistry 20031215 |
| Catalytic oxidation of 3,5-Di-tert-butylcatechol by a series of mononuclear manganese complexes: synthesis, structure, and kinetic investigation. | Inorganic chemistry 20031006 |
| Structural and functional models for the dinuclear copper active site in catechol oxidases. Synthesis, X-ray crystal structures, magnetic and spectroscopic properties of mu-methoxo-bridged dinuclear copper(II) complexes with N-substituted sulfonamide ligands. | Journal of inorganic biochemistry 20030901 |
| Effects of aminoacids on the autooxidation of 3,5-di-tert-butylcatechol in the presence of surface-active copper(II) complexes. | Journal of colloid and interface science 20021115 |
| The role of hydrogen bonding on the h-atom-donating abilities of catechols and naphthalene diols and on a previously overlooked aspect of their infrared spectra. | Journal of the American Chemical Society 20021030 |
| Synthesis, structure and catechol-oxidase activity of copper(II) complexes of 17-hydroxy-16-(N-3-oxo-prop-1-enyl)amino steroids. | Steroids 20020901 |
| Substrate binding in catechol oxidase activity: biomimetic approach. | Inorganic chemistry 20020729 |
| Naphthalene diols: a new class of antioxidants intramolecular hydrogen bonding in catechols, naphthalene diols, and their aryloxyl radicals. | The Journal of organic chemistry 20020726 |
| Catecholase activity of a series of dicopper(II) complexes with variable Cu-OH(phenol) moieties. | Inorganic chemistry 20020408 |
| Dicopper(II) complexes of H-BPMP-type ligands: pH-induced changes of redox, spectroscopic ((19)F NMR studies of fluorinated complexes), structural properties, and catecholase activities. | Inorganic chemistry 20020211 |
| Bond dissociation enthalpies of polyphenols: the importance of cooperative effects. | The Journal of organic chemistry 20020208 |
| Tuning the activity of catechol oxidase model complexes by geometric changes of the dicopper core. | Chemistry (Weinheim an der Bergstrasse, Germany) 20020104 |
| Copper(II) complexes of aminocarbohydrate beta-ketoenaminic ligands: efficient catalysts in catechol oxidation. | Chemistry (Weinheim an der Bergstrasse, Germany) 20010518 |
| Structural correlation of catecholase-like activities of oxy-bridged dinuclear copper(II) complexes. | Journal of inorganic biochemistry 20010401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.