Benzyl 3,6-dihydro-1(2H)-pyridinecarboxylate

Basic Information

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CAS Number

66207-23-6

Molecular Formula

C13H15NO2

Molecular Weight

217.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

1.148±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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O=C(OCc1ccccc1)N2CCC=CC2

InChI

InChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1-5,7-8H,6,9-11H2

InChIKey

YWKYQRWNOXUYJK-UHFFFAOYSA-N

LogP

2.5851000000000006

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

257

Synonyms & References

English

Benzyl 5,6-dihydropyridine-1(2H)-carboxylate
3,6-Dihydro-1(2H)-pyridinecarboxylic Acid Phenylmethyl Ester
benzyl 3,6-dihydro-2H-pyridine-1-carboxylate
N-Cbz-1,2,5,6-tetrahydropyridine
benzyl 1,2,3,6-tetrahydropyridine-1-carboxylate
n-cbz-1,2,3,6-tetrahydropyridine
1(2H)-Pyridinecarboxylic acid, 3,6-dihydro-, phenylmethyl ester
benzyl 3,6-dihydropyridine-1(2H)-carboxylate
YWKYQRWNOXUYJK-UHFFFAOYSA-N
BCP26818
SB10988
AM101107
OR301191

MDL Number

MFCD07366998

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Benzyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 66207-23-6)?

Benzyl 3,6-dihydro-1(2H)-pyridinecarboxylate is a crystalline compound with a molecular weight of approximately 241.31 g/mol. It has a solubility of about 12 g/L in water. This compound is relatively stable but can react with bases and exhibit some reactivity under certain conditions. It is slightly soluble in common organic solvents like ethanol and acetone.

How is Benzyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 66207-23-6) typically synthesized?

Benzyl 3,6-dihydro-1(2H)-pyridinecarboxylate can be synthesized through a multi-step process involving the condensation of benzyl chloride with 3,6-dihydro-1(2H)-pyridinecarboxylic acid. The reaction is typically carried out in the presence of a base such as sodium hydride, yielding a product with high selectivity and good yield.

What industries use Benzyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 66207-23-6)?

Benzyl 3,6-dihydro-1(2H)-pyridinecarboxylate is used in various industries including pharmaceuticals, where it serves as a precursor for drug synthesis, and in the polymer industry for enhancing certain material properties. It also finds applications in the production of sensors and semiconductors.

What precautions should be taken when handling Benzyl 3,6-dihydro-1(2H)-pyridinecarboxylate (CAS: 66207-23-6)?

When handling Benzyl 3,6-dihydro-1(2H)-pyridinecarboxylate, it is crucial to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a dry, well-ventilated area, away from direct sunlight. Use a fume hood during handling to avoid inhalation. In case of spills, immediately clean up using appropriate chemicals and consult the Safety Data Sheet (SDS) for guidance.