2-(4-Methyl-2-phenyl-1-piperazinyl)nicotinic acid

Basic Information

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CAS Number

61338-13-4

Molecular Formula

C17H19N3O2

Molecular Weight

297.36 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

Density

1.225

SMILES

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CN1CCN(C(C1)C1=CC=CC=C1)C1=C(C=CC=N1)C(O)=O

InChI

InChI=1S/C17H19N3O2/c1-19-10-11-20(15(12-19)13-6-3-2-4-7-13)16-14(17(21)22)8-5-9-18-16/h2-9,15H,10-12H2,1H3,(H,21,22)

InChIKey

HCVDLMUVEGPGGH-UHFFFAOYSA-N

LogP

2.2729

Topological Polar Surface Area

56.67 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

384

Synonyms & References

English

2-(4-Methyl-2-phenylpiperazin-1-yl)nicotinic acid
1-(3-Carboxy-2-pyridyl)-4-methyl-2-phenylpiperazine
2-(4-Methyl-2-phenyl-1-piperazinyl)-3-pyridinecarboxylic acid
1-(3-CARBOXYPYRID-2-YL)-2-PHENYL-4-METHYL-PIPERAZINE
2-(4-methyl-2-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
1-(3-Carboxypyridyl-2)-2-phenyl-4-methyl piperazine
AK111373
HCVDLMUVEGPGGH-UHFFFAOYSA-N
2-(4-methyl-2-phenyl-piperazin-1-yl)pyridine-3-carboxylic Acid
EBD25142
OR17666
R4

MDL Number

MFCD08458719

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2-(4-Methyl-2-phenyl-1-piperazinyl)nicotinic acid (CAS: 61338-13-4)?

2-(4-Methyl-2-phenyl-1-piperazinyl)nicotinic acid (CAS: 61338-13-4) is a crystalline compound with a molecular weight of approximately 315.36 g/mol. It has a solubility of about 2.5 mg/mL in water and is slightly soluble in ethanol. The compound is relatively stable under normal conditions, but it can undergo hydrolysis under basic conditions. It shows moderate reactivity with primary amines and nucleophiles.

How is 2-(4-Methyl-2-phenyl-1-piperazinyl)nicotinic acid (CAS: 61338-13-4) typically synthesized?

2-(4-Methyl-2-phenyl-1-piperazinyl)nicotinic acid (CAS: 61338-13-4) can be synthesized through esterification of 2-(4-methyl-2-phenyl-1-piperazinyl)isonicotinic acid with acetic anhydride. The reaction is typically conducted in the presence of a catalytic amount of an acid like sulfuric acid. The yield is usually around 85-90%, with the product being isolated by recrystallization from ethanol.

What industries use 2-(4-Methyl-2-phenyl-1-piperazinyl)nicotinic acid (CAS: 61338-13-4)?

2-(4-Methyl-2-phenyl-1-piperazinyl)nicotinic acid (CAS: 61338-13-4) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs, particularly those involving piperazine derivatives. It is also utilized in the production of certain polymers, sensors, and semiconductors for their unique chemical properties.

What precautions should be taken when handling 2-(4-Methyl-2-phenyl-1-piperazinyl)nicotinic acid (CAS: 61338-13-4)?

When handling 2-(4-Methyl-2-phenyl-1-piperazinyl)nicotinic acid (CAS: 61338-13-4), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be neutralized with an appropriate base before disposal. Always consult the Safety Data Sheet (SDS) for specific handling and disposal information.