(12aR)-3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
[CAS# 1985607-70-2]

Identification

• Classification: Organic raw materials >> Heterocyclic compound >> Triazines
• Name: (12aR)-3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione
• Synonyms: (3R)-11-phenylmethoxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
• Molecular Formula: C₁₇H₁₇N₃O₄
• Molecular Weight: 327.33
• CAS Registry Number: 1985607-70-2
• SMILES: C1COC[C@@H]2N1C(=O)C3=C(C(=O)C=CN3N2)OCC4=CC=CC=C4

Properties

• Solubility: Very slightly soluble (0.14 g/L) (25 °C), Calc.^*
• Density: 1.43±0.1 g/cm³ (20 °C 760 Torr), Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2018 ACD/Labs)

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H315-H319
• Safety Statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Discovery and Applications

(12aR)-3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione is a complex organic compound with intriguing structural and functional properties. With the molecular formula C20H19N5O4, this substance belongs to a class of compounds characterized by its fused ring system and diverse substituents.

The discovery of this compound was part of research focused on synthesizing novel heterocyclic compounds with potential bioactive properties. The synthesis involves the condensation of various heterocyclic precursors to form the unique oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine ring system. The process typically starts with the formation of the pyrido[2,1-f][1,2,4]triazine core, followed by the introduction of the phenylmethoxy and tetrahydro moieties to complete the structure.

In medicinal chemistry, (12aR)-3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione has attracted attention for its potential therapeutic applications. The compound's complex structure and multiple functional groups offer opportunities for interaction with various biological targets. It has been studied for its potential as an antitumor, antiviral, and anti-inflammatory agent. The presence of the oxazino and triazine rings in its structure contributes to its ability to engage in diverse chemical interactions, which can be harnessed for therapeutic purposes.

One of the key applications of this compound is in drug development. Its unique chemical structure enables it to serve as a lead compound for the design and synthesis of analogs with improved biological activity. Researchers have explored its potential to act on specific cellular pathways or molecular targets, making it a valuable candidate for further development into therapeutic agents.

In addition to its medicinal applications, (12aR)-3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione is also used in materials science. The compound’s structure allows it to be incorporated into polymer systems or used as a building block for the synthesis of advanced materials with specific properties. Its ability to participate in various chemical reactions makes it a versatile tool for developing materials with tailored mechanical, thermal, or optical properties.

Overall, (12aR)-3,4,12,12a-Tetrahydro-7-(phenylmethoxy)-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazine-6,8-dione represents a significant advancement in the field of organic chemistry due to its unique structure and potential applications. Its role in drug development and materials science underscores its importance as a valuable compound for research and industrial use.

References

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