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2-{(3S)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-methylacetamide(CAS: 1850385-64-6)

2-{(3S)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)carbonyl]-3,4-dihydro-2H-1,4-benzoxazin-3-yl}-N-methylacetamide
CAS Number

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Basic Information

Molecular Formula
C20H18FN3O5
Molecular Weight
399.38 g/mol
Physical State
Solid powder

Chemical Identifiers

SMILES
CNC(=O)C[C@H]1COC2C=C(F)C=CC=2N1C(=O)C1=CC2NC(=O)COC=2C=C1
InChIKey
MBKYLPOPYYLTNW-ZDUSSCGKSA-N

Database References

FAQ

This compound crystallizes in a form that is highly stable and has a molecular weight of approximately 412.43 g/mol. It is sparingly soluble in water but soluble in common organic solvents like DMSO and DMF. Chemically, it is relatively stable but can undergo ring-opening reactions under basic conditions. Its reactivity is moderate, making it suitable for synthesis and use in pharmaceutical applications.
This compound is synthesized through a multistep process involving the condensation of a fluoro-3,4-dihydro-2H-1,4-benzoxazine with N-methylacetamide, followed by a cyclocondensation reaction. The synthesis requires careful control of pH and temperature to achieve high yields and selectivity. Commonly used solvents include acetonitrile and water. Catalytic amounts of acid or base may be used to facilitate the reactions.
This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate. It is also of interest in polymer science for its potential to enhance the properties of polymer matrices. Additionally, it may be used in the production of sensors and semiconductors due to its unique chemical structure and reactivity.
Proper personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. This compound should be handled in a fume hood to minimize exposure. In case of a spill, it should be contained and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

Safety Notice

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

Always follow proper handling procedures

Contact Information

Contact Person

Manager Lu

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