4-(4-Methyl-1-piperazinyl)benzoic acid(CAS: 86620-62-4)

CAS Number
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Basic Information
Molecular Formula
C12H16N2O2
Molecular Weight
220.27 g/mol
Physical State
White to Yellow Solid
Physical Properties
Melting Point
230°C(lit.)
Boiling Point
393.9°C at 760 mmHg
Density
1.188
Flash Point
192.1℃
Chemical Identifiers
SMILES
CN1CCN(CC1)c2ccc(cc2)C(=O)O
InChIKey
UCFZVQHKTRSZMM-UHFFFAOYSA-N
Database References
MDL Number
MFCD02682063
FAQ
4-(4-Methyl-1-piperazinyl)benzoic acid is a white crystalline solid with a molecular weight of approximately 277.36 g/mol. It has a pKa of around 4.0 and is poorly soluble in water but soluble in organic solvents like methanol and dichloromethane. This compound is reactive with strong bases and can undergo esterification and amide formation reactions.
4-(4-Methyl-1-piperazinyl)benzoic acid is usually synthesized via the reaction of 4-aminobenzoic acid with 4-methylpiperazine in the presence of a condensing agent like 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide (EDC) and N-hydroxysuccinimide (NHS). The yield is typically around 85-90%, and the reaction is carried out under anhydrous conditions to avoid side reactions.
4-(4-Methyl-1-piperazinyl)benzoic acid is primarily used in the pharmaceutical and cosmetic industries due to its ability to form effective prodrugs and act as a stabilizer in formulations. It is also used in the synthesis of certain dyes and as a precursor in the development of functional polymers.
When handling 4-(4-Methyl-1-piperazinyl)benzoic acid, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or under a fume hood. In case of a spill, the area should be immediately cleaned up with appropriate absorbent materials, and the material safety data sheet (MSDS) should be consulted for specific spill procedures. Exposure to strong bases should be avoided as it can cause irritation or burns.
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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