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8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1)(CAS: 459868-92-9)

8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1)
CAS Number

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Basic Information

Molecular Formula
C19H21FN3O5P
Molecular Weight
421.37 g/mol

Chemical Identifiers

SMILES
CNCc1ccc(cc1)c2c3c4c(cc(cc4[nH]2)F)C(=O)NCC3.OP(=O)(O)O
InChIKey
FCCGJTKEKXUBFZ-UHFFFAOYSA-N

Database References

MDL Number
MFCD17010269

FAQ

The compound 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1) has a molecular weight of approximately 554.6 g/mol. It is a white to off-white crystalline powder with a very low solubility in water but good solubility in organic solvents like methanol and dimethyl sulfoxide. Chemically, it is stable but should be handled under an inert atmosphere due to its potential to react with moisture and oxygen. It is also a weak base and can form salts with acids.
The compound can be synthesized via a multi-step process involving the condensation of an azepino[5,4,3-cd]indoline derivative with a substituted aniline in the presence of a base like sodium hydride. The reaction is typically carried out in a solvent such as dimethylformamide (DMF) under reflux conditions. The yield is good, around 70-80%, with high selectivity towards the desired product.
8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1) is primarily used in the pharmaceutical industry for its potential biological activity. It may also find applications in the development of novel materials and sensors due to its unique chemical structure and reactivity.
When handling 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1), it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be carried out in a well-ventilated area or fume hood to prevent inhalation. Spills should be immediately cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information 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

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