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4-{[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid(CAS: 1028486-01-2)

4-{[9-Chloro-7-(2-fluoro-6-methoxyphenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino}-2-methoxybenzoic acid
CAS Number

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Basic Information

Molecular Formula
C27H20ClFN4O4
Molecular Weight
518.93 g/mol

Chemical Identifiers

SMILES
COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F
InChIKey
ZLHFILGSQDJULK-UHFFFAOYSA-N

Database References

MDL Number
MFCD16621243

FAQ

The compound is a crystalline solid with a molecular weight of approximately 675.7 g/mol. It has a low solubility in water (0.01 g/100 mL at 25°C) and is soluble in organic solvents such as dichloromethane and acetonitrile. The compound exhibits moderate reactivity towards nucleophiles and can undergo substitution reactions under certain conditions.
The compound is typically synthesized through a multi-step process involving the synthesis of the pyrimido[5,4-d][2]benzazepin-2-ylamine, followed by coupling with the 2-methoxybenzoic acid derivative. The reaction is catalyzed by a suitable transition metal complex, such as palladium, and proceeds under mild conditions to achieve good selectivity and yield.
This compound is primarily used in the pharmaceutical industry as an intermediate in the synthesis of complex drug molecules. It may also find applications in the sensor industry, where its specific chemical properties can be utilized for detecting certain analytes.
When handling this compound, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be well ventilated. For detailed safety information, always refer to the Material Safety Data Sheet (MSDS/SDS).

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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