1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid

Basic Information

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CAS Number

774531-43-0

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

Melting Point

222-224

Boiling Point

387.9℃ at 760 mmHg

Density

1.215

Flash Point

188.4℃

Refractive Index

1.575

SMILES

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C1CN(CCC1C(=O)O)CC2=CC=NC=C2

InChI

InChI=1S/C12H16N2O2/c15-12(16)11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-2,5-6,11H,3-4,7-9H2,(H,15,16)

InChIKey

FQQLUUHEXSHYTO-UHFFFAOYSA-N

LogP

1.3782

Topological Polar Surface Area

53.43000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

231

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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-pyridin-4-ylmethylpiperidine-4-carboxylic acid
SR-01000384236-1
1-(pyridin-4-ylmethyl) piperidine-4-carboxylic acid
CS-0268491
SR-01000384236
MixCom1_000200
MixCom4_000125
1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
Peakdale1_002906
774531-43-0
1-[(Pyridin-4-yl)methyl]piperidine-4-carboxylic acid
1-(pyridin-4-ylmethyl)piperidine-4-carboxylicacid
EN300-39246
A839098
1-(4-pyridinylmethyl)piperidine-4-carboxylic acid, AldrichCPR
FQQLUUHEXSHYTO-UHFFFAOYSA-N
J-505117
FT-0654474
DTXSID00375588
AKOS000302870
1-(4-Pyridinylmethyl)piperidine-4-carboxylic acid
1-(4-pyridinylmethyl)-4-piperidinecarboxylic acid
MFCD03645526
AMY32289
BB 0220117
IDI1_001869
1-(4-pyridylmethyl)piperidine-4-carboxylic acid;1-(Pyridin-4-ylmethyl)piperidine-4-carboxylic acid
Peakdale2_000436
1-Pyridin-4-ylmethyl-piperidine-4-carboxylic acid
PS-3098
SCHEMBL4002837

MDL Number

MFCD03645526

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid (CAS: 774531-43-0)?

1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid is a crystalline solid with a molecular weight of approximately 271.26 g/mol. It is slightly soluble in water and has a pKa of about 5.2. This compound is known for its ester functionality, which makes it reactive towards nucleophiles and bases, facilitating its use in various organic reactions. It is stable under normal conditions but should be handled with care due to its acidity.

How is 1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid (CAS: 774531-43-0) typically synthesized?

1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid can be synthesized via the condensation of 4-piperidone and 4-pyridinylmethylamine. The synthesis typically involves a multi-step process including the formation of the piperidine ring, followed by the introduction of the pyridine moiety, and finally the esterification step. Commonly used catalysts include acid or base catalysts, and the reaction yields are generally around 60-70%. The product is purified by recrystallization from water or appropriate organic solvents.

What industries use 1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid (CAS: 774531-43-0)?

1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid is widely used in the pharmaceutical industry for the development of novel drugs, particularly in the synthesis of prodrugs and as a building block for peptide and protein synthesis. It also finds applications in the polymer industry, where it serves as a monomer for preparing biodegradable polymers. Additionally, it is used in sensor technology for its ability to form stable complexes with various metal ions and in semiconductor manufacturing due to its specific chemical properties.

What precautions should be taken when handling 1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid (CAS: 774531-43-0)?

When handling 1-(4-Pyridinylmethyl)-4-piperidinecarboxylic acid, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from ignition sources. In case of a spill, it should be carefully cleaned up using appropriate absorbent materials. The storage and disposal should follow the guidelines outlined in the Safety Data Sheet (SDS). Proper ventilation should be maintained during handling to avoid inhalation of dust or aerosols.