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(4R,12aS)-N-(2,6-Difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide(CAS: 2244161-72-4)

(4R,12aS)-N-(2,6-Difluorobenzyl)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide
CAS Number

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Basic Information

Molecular Formula
C20H19F2N3O5
Molecular Weight
419.38 g/mol

Chemical Identifiers

SMILES
C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCC4C(F)=CC=CC=4F)C(=O)C(O)=C3C(=O)N21
InChIKey
HINIWTFBDFXRFH-BMIGLBTASA-N

Database References

FAQ

The compound is a crystalline solid with a molecular weight of approximately 415.21 g/mol. It has poor solubility in water but good solubility in organic solvents like DMSO and DMF. The compound is highly reactive and susceptible to hydrolysis under basic conditions. It exhibits strong reactivity towards nucleophiles and is prone to ring-opening reactions.
The compound is synthesized via a multi-step process involving protection of the amine, introduction of the difluorobenzyl group, and subsequent ring closure. Commonly, the synthesis involves using reagents like DMF and catalysts such as HATU for amide formation. The yield is typically around 70%, with high selectivity towards the desired product.
This compound is primarily used in the pharmaceutical industry for its potential in developing anti-inflammatory drugs and as a research tool. It may also find applications in the production of novel materials and in the development of advanced sensors.
When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be immediately cleaned up using appropriate absorbent materials. Refer to the safety data sheet (SDS) for detailed handling procedures and emergency response guidelines.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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