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(6Z)-6-[(2-hydroxy-1,1-dimethylethyl)amino]methylidenecyclohexa-2,4-dien-1-one is a chemical compound with the molecular formula C13H19NO2. It is a derivative of cyclohexa-2,4-dien-1-one and contains a substituted amino group and a hydroxyisopropyl group. (6Z)-6-[(2-hydroxy-1,1-dimethylethyl)amino]methylidenecyclohexa-2,4-dien-1-one may have potential applications in pharmaceuticals, as it contains a reactive amino group that could be utilized for drug conjugation or targeting specific biological pathways. Its structure suggests that it could have biological activity, possibly as a potential pharmacologically active compound. Further research is needed to fully understand the properties and potential uses of (6Z)-6-[(2-hydroxy-1,1-dimethylethyl)amino]methylidenecyclohexa-2,4-dien-1-one.

3509-50-0

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3509-50-0 Usage

Uses

Used in Pharmaceutical Industry:
(6Z)-6-[(2-hydroxy-1,1-dimethylethyl)amino]methylidenecyclohexa-2,4-dien-1-one is used as a potential pharmacologically active compound for its possible biological activity and the presence of a reactive amino group that could be utilized for drug conjugation or targeting specific biological pathways.
Used in Drug Development:
(6Z)-6-[(2-hydroxy-1,1-dimethylethyl)amino]methylidenecyclohexa-2,4-dien-1-one is used as a starting material for the development of new drugs due to its unique structure and the potential for further chemical modifications to enhance its properties and efficacy.
Used in Research and Development:
(6Z)-6-[(2-hydroxy-1,1-dimethylethyl)amino]methylidenecyclohexa-2,4-dien-1-one is used as a research compound to study its properties, potential interactions with biological systems, and to explore its possible applications in various fields, including medicine and pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 3509-50-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,5,0 and 9 respectively; the second part has 2 digits, 5 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 3509-50:
(6*3)+(5*5)+(4*0)+(3*9)+(2*5)+(1*0)=80
80 % 10 = 0
So 3509-50-0 is a valid CAS Registry Number.

3509-50-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name (6Z)-6-[[(1-hydroxy-2-methylpropan-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one

1.2 Other means of identification

Product number -
Other names Salicylaldehyd-(2-hydroxy-1,1-dimethyl-ethylimin)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3509-50-0 SDS

3509-50-0Relevant academic research and scientific papers

Palladium-Catalyzed Oxidation of β-C(sp3)-H Bonds of Primary Alkylamines through a Rare Four-Membered Palladacycle Intermediate

Bunescu, Ala,Ernst, Martin,Hartwig, John F.,Qiu, Yehao,Su, Bo,Zuend, Stephan J.

, p. 7912 - 7919 (2020/05/22)

Site-selective functionalizations of C-H bonds are often achieved with a directing group that leads to five- or six-membered metallacyclic intermediates. Analogous reactions that occur through four-membered metallacycles are rare. We report a challenging palladium-catalyzed oxidation of primary C-H bonds β to nitrogen in an imine of an aliphatic amine, a process that occurs through a four-membered palladacyclc intermediate. The success of the reaction relies on the identification, by H/D exchange, of a simple directing group (salicylaldehyde) capable of inducing the formation of this small ring. To gain insight into the steps of the catalytic cycle of this unusual oxidation reaction, a series of mechanistic experiments and density functional theory (DFT) calculations were conducted. The experimental studies showed that cleavage of the C-H bond is rate-limiting and formation of the strained four-membered palladacycle is thermodynamically uphill. DFT calculations corroborated these conclusions and suggested that the presence of an intramolecular hydrogen bond between the oxygen of the directing group and hydroxyl group of the ligating acetic acid is crucial for stabilization of the palladacyclic intermediate.

Four-, five- and six-coordinated ZnII complexes of OH-containing ligands: Syntheses, structure and reactivity

Dey, Mishtu,Pulla Rao, Chebrolu,Saarenketo, Pauli,Rissanen, Kari,Kolehmainen, Erkki

, p. 2207 - 2215 (2007/10/03)

Four-, five- and six-coordinated complexes of ZnII with OHrich molecules possessing an ONO binding core were synthesized, characterized and their structures were established by single-crystal X-ray diffraction. The corresponding metal ion geometries were found to be distorted tetrahedral, square pyramidal and octahedral, respectively. The complexes exhibit interesting lattice structures such as layered and corrugated sheets owing to the presence of a number of weak intermolecular interactions. The five-coordinated, water-bound ZnII complex was studied because of its putative hydrolysis property towards p-nitrophenyl acetate. Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.

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