217819-14-2

Basic information

• Product Name: Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-2-methoxy-
• CAS NO: 217819-14-2
• Molecular Formula: C15H23BrO
• Molecular Weight: 299.251
• Mol File: 217819-14-2.mol

Chemical Properties

• CAS DataBase Reference: Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-2-methoxy-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-2-methoxy-(217819-14-2)
• EPA Substance Registry System: Benzene, 1-bromo-3,5-bis(1,1-dimethylethyl)-2-methoxy-(217819-14-2)

Safety Data

• Hazardous Substances Data: 217819-14-2(Hazardous Substances Data)

Upstream product

• 20834-61-1 2-bromo-4,6-di-tert-butylphenol 
• 77-78-1 dimethyl sulfate 
• 96-76-4 2,4-di-tert-Butylphenol 
• 74-88-4 methyl iodide 

Downstream Products

• 888853-87-0 (3,5-di-tert-butyl-2-methoxyphenyl)diphenylmethanol 
• 17177-98-9 2,4-di-tert-butylmethoxybenzene 
• 1433006-62-2 C₂₁H₂₉NO 
• 1009317-35-4 2,4-di-tert-butyl-6-(pyridin-2-ylmethyl)-phenol 
• 41440-84-0 2-(pyridin-2-ylmethyl)phenol 

Relevant articles and documents

Ni, Pd, and Pt complexes of a tetradentate dianionic thiosemicarbazone-based O^N^N^S ligand

New tetradentate phenolate O^N^N^S thiosemicarbazone (TSC) ligands and their Ni(ii), Pd(ii) and Pt(ii) complexes were studied. The diamagnetic and square planar configured orange or red complexes show reversible reductive electrochemistry and in part reversible oxidative electrochemistry at very moderate potentials. DFT calculations show essentially pyridyl-imine centred lowest unoccupied molecular orbitals (LUMO) while the highest occupied molecular orbitals (HOMO) receive contributions from the phenolate moiety, the metal d orbitals and the TSC thiolate atom in keeping with UV-vis spectroelectrochemistry. DFT calculations in conjunction with IR spectra showed details of the molecular structures, the UV-vis absorptions were modelled through TD-DFT calculation with very high accuracy. UPS is fully consistent with UV-vis absorption and TD-DFT calculated data and shows decreasing HOMO-LUMO gaps along the series Pd > Pt > Ni.

Ligand-Mediated Spin-State Changes in a Cobalt-Dipyrrin-Bisphenol Complex

The influence of a redox-active ligand on spin-changing events induced by the coordination of exogenous donors is investigated within the cobalt complex [CoII(DPP·2-)], bearing a redox-active DPP2- ligand (DPP = dipyrrin-bis(o,p-di-tert-butylphenolato) wi

Biphenyltridentate phosphite ligand and preparation method and application thereof (by machine translation)

The invention discloses a biphenyl tridentate phosphite ligand and a preparation method and application thereof, wherein the biphenyltridentate phosphite ligand has the structure shown in a formula (I), and the ligand has extremely stable water oxygen. The catalyst is not easy to decompose and has good catalytic activity. (by machine translation)

Chiral 2-(2-hydroxyaryl)alcohols (HAROLs) with a 1,4-diol scaffold as a new family of ligands and organocatalysts

Efficient and modular syntheses of chiral 2-(2-hydroxyaryl)alcohols (HAROLs), novel 1,4-diols carrying one phenolic and one alcohol hydroxyl group, have been developed which led to generation of a small library of structurally diverse HAROLs in enantiomerically pure form. Of the different HAROLs examined, a HAROL based on the indan backbone exhibited the highest activity and enantioselectivity in the 1,2-addition of certain organometallic compounds to aldehydes in the presence of Ti(OiPr)4 (up to 97% y, 88% ee) and performed as a hydrogen-bond donor organocatalyst in the Morita-Baylis-Hillman reaction, promoted by trialkylphosphines.

Electron transfer between hydrogen-bonded pyridylphenols and a photoexcited rhenium(I) complex

Two pyridylphenols with intramolecular hydrogen bonds between the phenol and pyridine units have been synthesized, characterized crystallographically, and investigated by cyclic voltammetry and UV/Vis spectroscopy. Reductive quenching of the triplet metal-to-ligand charge-transfer excited state of the [Re(CO)3(phen)(py)]+ complex (phen=1,10-phenanthroline, py=pyridine) by the two pyridylphenols and two reference phenol molecules is investigated by steady-state and time-resolved luminescence spectroscopy, as well as by transient absorption spectroscopy. Stern-Volmer analysis of the luminescence quenching data provides rate constants for the bimolecular excited-state quenching reactions. H/D kinetic isotope effects for the pyridylphenols are on the order of 2.0, and the bimolecular quenching reactions are up to 100 times faster with the pyridylphenols than with the reference phenols. This observation is attributed to the markedly less positive oxidation potentials of the pyridylphenols with respect to the reference phenols (≈0.5 V), which in turn is caused by proton coupling of the phenol oxidation process. Transient absorption spectroscopy provides unambiguous evidence for the photogeneration of phenoxyl radicals, that is, the overall photoreaction is clearly a proton-coupled electron-transfer process. A concerted effort: Two pyridylphenols with intramolecular hydrogen bonds react with a metal complex through concerted proton transfer (PT)-electron transfer (ET). Upon photoexcitation of the complex, ET occurs from the phenol to the metal, and the phenolic proton is transferred to the pyridine moiety (see picture; MLCT=metal-to-ligand charge transfer). Copyright

Tetravalent metal complexes as a new family of catalysts for copolymerization of epoxides with carbon dioxide

New tetravalent metal complexes with a trianionic [ONNO]-tetradentate ligand and an ancillary chloride ligand were synthesized as catalysts for the copolymerization of epoxides with carbon dioxide (CO2). All of the titanium, zirconium, germaniu

NON-METALLOCENE ORGANOMETALLIC COMPLEXES AND RELATED METHODS AND SYSTEMS

A non-metallocene organometallic complex comprising a tridentate ligand and a metal bonded to a tridentate ligand, wherein two substituted aryl groups in the tridentate ligand are connected to a cyclic group at the ortho position via semi-rigid ring-ring linkages, and selected so to provide the resulting non-metallocene organometallic complex with a CS geometry, a C1 geometry, a C2 geometry or a C2v geometry. Method for performing olefin polymerization with a non-metallocene organometallic complex as a catalyst, related catalytic systems, tridentate ligand and method for providing a non-metallocene organometallic complex.

Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof

Novel pharmaceutically/cosmetically-active bicyclic aromatic compounds have the structural formula (I): in which Ar1 is a radical having one of the structural formulae (a)-(c): Ar2 is a radical having one of the following formulae (d)-(h): and X is a radical having one of the following formulae (i)-(l): and are useful for the treatment of a wide variety of disease states, whether human or veterinary, for example dermatological, rheumatic, respiratory, cardiovascular and ophthalmological disorders, as well as for the treatment of mammalian skin and hair conditions/disorders.

Oxidatively robust monophenolate-copper(II) complexes as potential models of galactose oxidase.

Cupric complexes of a novel phenanthroline-phenolate ligand have strongly distorted coordination geometries and electrochemical properties conducive to modeling the spectroscopy and reactivity of the enzyme galactose oxidase.

Copper(I) and copper(II) complexes possessing cross-linked imidazole-phenol ligands: Structures and dioxygen reactivity

Catalytic reduction of O2 to H2O, and coupling to membrane proton translocation, occurs at the heterobinuclear heme a3-CuB active site of cytochrome c oxidase. One of the CuB ligated histidines is cross-linked to a neighboring tyrosine (C-N bond; tyrosine C6 and histidine ε-nitrogen), and the protic residue of this cross-linked His-Tyr moiety is proposed to participate as both an electron and a proton donor in the catalytic dioxygen reduction event. To provide insight into the chemistry of such a moiety, we have synthesized and characterized tetra- and tridentate pyridylalkylamine chelate ligands {LN4OR and LN3OR (R = H or Me)}, which include an imidazole-phenol (or anisole) cross-link and their copper(I/II) complexes. [CuI(LN4OH)]B(C6F5)4 (1) reacts with dioxygen at -80 °C in THF, forming an unstable trans-μ-1,2-peroxodicopper(II)complex, which subsequently converts to a dimeric copper(II)-phenolate complex [{Cu(LN4O-)}2](B(C6F5)4)2 (5a). The close analogue [CuI(LN4OMe)]B(C6F5)4 (3) binds dioxygen reversibly at -80 °C in tetrahydrofuran. Stopped-flow kinetics of the reaction [CuI(LN3OH)]ClO4 (2) with O2 in CH2Cl2 indicate a steady formation of the purple dimeric product [{Cu(LN3O-)}2](ClO4)2 (5b), which has been analyzed in the temperature range from -40 to +20 °C, ΔH? = -9.6 (6) kJ mol-1, ΔS? = -168 (2) J mol-1 K-1 (k(-40°C) = 1.05(4) × 106 and k(+20°C) = 4.6(2) × 105 M-2 s-1). The X-ray crystal structures of 1, [CuII(LN3OH)(MeOH)(OClO3-)](ClO4) (4), 5a, and 5b are reported. Copyright