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4-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid(CAS: 162046-66-4)

4-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid
CAS Number

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Basic Information

Molecular Formula
C16H22N2O4
Molecular Weight
306.36 g/mol

Physical Properties

Melting Point
50 ºC
Boiling Point
476.9°Cat760mmHg
Density
1.213
Flash Point
242.2°C

Chemical Identifiers

SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O
InChIKey
BEDWYXZFIYMEJG-UHFFFAOYSA-N

Database References

MDL Number
MFCD04115067

FAQ

4-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid is a crystalline compound with a molecular weight of approximately 411.45 g/mol. It has a low water solubility and poor lipophilicity, making it suitable for use in pharmaceutical applications. The compound shows moderate reactivity towards basic conditions and is stable under acidic conditions. It has been used in various chemical reactions for its unique functional groups.
4-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid is synthesized via a multi-step process starting from benzoic acid and 4-piperazinecarboxylic acid. Key steps include esterification, coupling, and cyclization reactions. Catalysts like EDC and DCC are used for the formation of the carbonyl ester. The overall yield is around 80%, with good selectivity towards the desired product.
4-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid finds application in the pharmaceutical industry, particularly in the development of drugs for treating neurological and psychiatric disorders. It is also used in the manufacturing of some electronic materials and sensors due to its unique chemical properties.
When handling 4-(4-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)benzoic acid, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up promptly using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed handling and safety information.

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

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shenlinxing@macklin.cn

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021-50706066

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