4-(4-Methyl-1-piperazinyl)benzoic acid

Basic Information

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CAS Number

86620-62-4

Molecular Formula

C12H16N2O2

Molecular Weight

220.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

230°C

Boiling Point

393.9°C at 760 mmHg

Density

1.188

Flash Point

192.1℃

SMILES

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CN1CCN(CC1)c2ccc(cc2)C(=O)O

InChI

InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)11-4-2-10(3-5-11)12(15)16/h2-5H,6-9H2,1H3,(H,15,16)

InChIKey

UCFZVQHKTRSZMM-UHFFFAOYSA-N

LogP

1.1365999999999998

Topological Polar Surface Area

43.78 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

241

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-(4-Methylpiperazin-1-yl)benzoic acid
4-(4-Methylpiperazinyl)benzoic Acid
4-(4-Methyl-piperazin-1-yl)-benzoic acid
4-(4-methylpiperazino)benzoic acid
1-(4-Carboxyphenyl)-4-methylpiperazine
4-(4-Methylpiperazino) benzoic acid
Benzoic acid, 4-(4-methyl-1-piperazinyl)-
4-(4-Methyl-piperazino)benzoic acid
4-(4-METHYL-1-PIPERAZINYL)BENZOIC ACID
PubChem10481
Oprea1_658124
Oprea1_607890
KSC448O3P
UCFZVQHKTRSZMM-UHFFFAOYSA-N
Z
4-(4-methylpiperazin-1-yl)benzoic acid

MDL Number

MFCD02682063

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 86620-62-4)?

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.

How is 4-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 86620-62-4) typically synthesized?

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.

What industries use 4-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 86620-62-4)?

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.

What precautions should be taken when handling 4-(4-Methyl-1-piperazinyl)benzoic acid (CAS: 86620-62-4)?

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.