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1,2,6-Trimethylpyridin-4(1H)-one is an organic compound with the molecular formula C9H11NO. It is a derivative of pyridin-4(1H)-one, featuring three methyl groups attached to the pyridine ring at the 1st, 2nd, and 6th positions. 1,2,6-trimethylpyridin-4(1H)-one is known for its potential applications in the synthesis of various pharmaceuticals and agrochemicals, as well as its use as an intermediate in the production of certain dyes and pigments. Its chemical structure and properties make it a versatile building block in organic chemistry, with potential applications in the development of new materials and compounds.

767-83-9

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767-83-9 Usage

Class

Heterocyclic compound

Derivative of

Pyridine

Appearance

Unknown, but likely a solid or liquid depending on the conditions

Odor

Unknown, but may have a characteristic chemical odor

Solubility

Unknown, but likely soluble in organic solvents such as ethanol or acetone

Boiling point

Unknown, but can be estimated based on similar compounds

Melting point

Unknown, but can be estimated based on similar compounds

Density

Unknown, but can be estimated based on similar compounds

Polarity

Unknown, but likely polar due to the presence of the nitrile group

Reactivity

Unknown, but may react with strong acids, bases, or reducing agents

Uses

Intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds; potential use as a corrosion inhibitor and as a reagent in organic chemistry reactions

Pharmacological properties

Potential antioxidant and possible treatment for neurodegenerative diseases

Research and industry importance

Wide range of applications in various fields of research and industry

Safety

Unknown, but should be handled with care due to its potential reactivity and unknown toxicity

Environmental impact

Unknown, but may have an impact on the environment if not properly disposed of or if released in large quantities

Regulatory status

Unknown, but may be subject to regulations depending on its intended use and concentration in products

Synthesis

Can be synthesized through various methods, such as the reaction of a pyridine derivative with a methylating agent or through the condensation of a suitable aldehyde or ketone with ammonia and an alkyl halide.

Check Digit Verification of cas no

The CAS Registry Mumber 767-83-9 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,6 and 7 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 767-83:
(5*7)+(4*6)+(3*7)+(2*8)+(1*3)=99
99 % 10 = 9
So 767-83-9 is a valid CAS Registry Number.

767-83-9Relevant academic research and scientific papers

NUCLEAR MAGNETIC RESONANCE STUDY OF THE PROTONATION OF 2,6-DIMETHYL-γ-PYRONE AND RELATED BASES IN SUPERACID SYSTEMS

Gold, Victor,Mah, Talat

, p. 812 - 816 (1981)

1H and 13C n.m.r. spectra indicate that 2,6-dimethyl-4H-pyran-4-one in solution in HSO3F-SbF5 ( 1:1 ) is doubly protonated at the exocyclic oxygen atom.The sulphur and nitrogen analogues, 2,6-dimethyl-4H-thiopyran-4-one, and 2,6-dimethyl-N-methyl-4-pyridone, respectively, behave similarly. other related compounds show 1H and 13C n.m.r. spectra in support of our interpretation.

Studies on the stereochemistry of 1,2,6-trimethyl-4-piperidone

Diwischek, Florian,Arnone, Mario,Engels, Bernd,Holzgrabe, Ulrike

, p. 6993 - 7001 (2007/10/03)

In the effort to create new derivatives of analgesically active spiropiperidines intermediate 1,2,6-trimethyl-4-piperidone was synthesized. The substitution of the skeleton gives rise to configurational as well as conformational isomerism. Despite the symmetry of 1,2,6-trimethyl-4-piperidone two different sets of signals were present in the 1H and 13C NMR spectra. They were supposed to arise from a cis/trans mixture of 1,2,6-trimethyl-4-piperidone. In contrast to this explanation only two signals of the methyl groups and hydrogens at carbon atoms 2 and 6 were observed in the 1H and 13C NMR spectra, normally expecting one for the cis- and two for the trans-isomer. To solve this discrepancy, the kind of isomeric mixture of 1,2,6-trimethyl-4-piperidone leading to the 1H and 13C NMR spectra was examined. Energy differences between chair conformations of both the cis- and the trans-isomer of 1,2,6-trimethyl-4- piperidone and the potential energy surface of the equilibration process of the trans-isomer of 1,2,6-trimethyl-4-piperidone between its chair conformers were determined by quantum chemical calculations. The barrier height of the equilibration process was measured by high and low temperature NMR measurements to confirm the theoretical outcome. The results of all investigations agree nicely and proved a cis-/trans-mixture of 1,2,6-trimethyl-4-piperidone being present at room temperature.

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