4-Anilino-1-benzyl-4-piperidinecarboxylic acid

Basic Information

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CAS Number

85098-64-2

Molecular Formula

C19H22N2O2

Molecular Weight

310.4 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

Melting Point

239-241°C

SMILES

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O=C(C1(NC2=CC=CC=C2)CCN(CC3=CC=CC=C3)CC1)O

InChI

InChI=1S/C19H22N2O2/c22-18(23)19(20-17-9-5-2-6-10-17)11-13-21(14-12-19)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2,(H,22,23)

InChIKey

YFSCBWDAVTYIMM-UHFFFAOYSA-N

LogP

3.217900000000001

Topological Polar Surface Area

52.57000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

379

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

Synonyms & References

English

1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid
1-Benzyl-4-phenylaminopiperidine-4-carboxylic acid
4-(phenylamino)-1-(phenylmethyl)piperidine-4-carboxylic acid
4-anilino-1-benzylpiperidine-4-carboxylic acid
1-Benzyl-4-phenylamino-4-carboxy-piperidine
4-(Phenylamino]-1-benzyl-4-piperidinecarboxylic acid
4-Anilino-1-benzyl-4-piperidinecarboxylic acid
NSC73748
4-Piperidinecarboxylic acid, 4-(phenylamino)-1-(phenylmethyl)-
B4386XQ54S
NCIStruc1_001410
NCIStruc2_001530
4-anilino-1-benzyl-piperidine-4-carboxylic acid
Oprea1_065627
Oprea1_466880
PIP019

MDL Number

MFCD00023753

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 4-Anilino-1-benzyl-4-piperidinecarboxylic acid (CAS: 85098-64-2)?

4-Anilino-1-benzyl-4-piperidinecarboxylic acid is a white crystalline solid with a molecular weight of approximately 287.32 g/mol. It has a pKa of 4.75 in aqueous solution and is slightly soluble in water. The compound is stable under normal conditions but can react with strong bases to form salts. It is soluble in ethanol and slightly soluble in methanol, making it useful in organic synthesis and pharmaceutical applications.

How is 4-Anilino-1-benzyl-4-piperidinecarboxylic acid (CAS: 85098-64-2) typically synthesized?

4-Anilino-1-benzyl-4-piperidinecarboxylic acid can be synthesized via a multistep process involving the condensation of 4-hydroxypiperidine and benzyl anilide followed by acylation. This method yields a mixture of isomers, but the desired product can be isolated through column chromatography. The synthesis typically involves the use of catalysts and reagents like triethylamine and dichloromethane, achieving a yield of around 70-80%.

What industries use 4-Anilino-1-benzyl-4-piperidinecarboxylic acid (CAS: 85098-64-2)?

4-Anilino-1-benzyl-4-piperidinecarboxylic acid is primarily used in the pharmaceutical industry for the synthesis of drugs. It is also utilized in the production of polymers and sensors due to its unique chemical structure. Its use in semiconductors is less common but has potential applications in materials chemistry for electronic devices.

What precautions should be taken when handling 4-Anilino-1-benzyl-4-piperidinecarboxylic acid (CAS: 85098-64-2)?

When handling 4-Anilino-1-benzyl-4-piperidinecarboxylic acid, it is essential 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 a fume hood to minimize exposure. Spills should be cleaned up immediately using absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.