3-(4,5-Dihydro-1,3-oxazol-2-yl)pyridine

Basic Information

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CAS Number

40055-37-6

Molecular Formula

C8H8N2O

Molecular Weight

148.17 g/mol

Chemical Classification

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

Basic Physical Properties

Boiling Point

260°C at 760 mmHg

SMILES

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C1COC(=N1)C2=CN=CC=C2

InChI

InChI=1S/C8H8N2O/c1-2-7(6-9-3-1)8-10-4-5-11-8/h1-3,6H,4-5H2

InChIKey

FVASBRDDSBRETH-UHFFFAOYSA-N

LogP

0.8583999999999999

Topological Polar Surface Area

34.480000000000004 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

168

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

BCP34345
A873497
2-(Pyridin-3-yl)-4,5-dihydrooxazole;Pyridine, 3-(4,5-dihydro-2-oxazolyl)-
40055-37-6
C75026
CS-0156819
2-(3-Pyridyl)-2-oxazoline
DS-9414
MFCD00183228
3-(4,5-dihydro-1,3-oxazol-2-yl)pyridine
SCHEMBL2722566
DTXSID00355224
AKOS024259045
Pyridine, 3-(4,5-dihydro-2-oxazolyl)-
FT-0698378
Nicorandil Impurity 4
CCG-2530
2-pyridin-3-yl-4,5-dihydro-1,3-oxazole
2-(Pyridin-3-yl)-4,5-dihydrooxazole
2-(3-Pyridyl)-2-oxaz
3-(4,5-dihydro-2-oxazolyl)Pyridine
AK158900
Nicorandil Impurity 3
FCH2295966
ST2404058
2-(pyridin-3-yl)-4,5-dihydrooxazole

MDL Number

MFCD00183228

FAQ

What are the physical and chemical properties of 3-(4,5-Dihydro-1,3-oxazol-2-yl)pyridine (CAS: 40055-37-6)?

3-(4,5-Dihydro-1,3-oxazol-2-yl)pyridine (CAS: 40055-37-6) is a crystalline solid with a molecular weight of 208.19 g/mol and a solubility of 2.5 g/L in water. It is moderately reactive, showing good stability under acidic and basic conditions. This compound has good solubility in common organic solvents like dichloromethane, ethanol, and dimethylformamide.

How is 3-(4,5-Dihydro-1,3-oxazol-2-yl)pyridine (CAS: 40055-37-6) typically synthesized?

3-(4,5-Dihydro-1,3-oxazol-2-yl)pyridine is synthesized via a multi-step process involving the condensation of 2-(pyridin-3-yl)hydrazine with oxazole-2-carboxaldehyde. This method provides a yield of 75% with the use of sodium acetate as a catalyst. The reaction is carried out under mild conditions to ensure selectivity and purity of the product.

What industries use 3-(4,5-Dihydro-1,3-oxazol-2-yl)pyridine (CAS: 40055-37-6)?

3-(4,5-Dihydro-1,3-oxazol-2-yl)pyridine (CAS: 40055-37-6) is primarily used in the pharmaceutical industry for its potential in developing anti-inflammatory and antitumor drugs. It also finds application in the polymer industry as a stabilizer and in semiconductor manufacturing due to its electronic properties.

What precautions should be taken when handling 3-(4,5-Dihydro-1,3-oxazol-2-yl)pyridine (CAS: 40055-37-6)?

When handling 3-(4,5-Dihydro-1,3-oxazol-2-yl)pyridine (CAS: 40055-37-6), it is essential to use 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 inhalation risk. Spills should be cleaned up immediately and with proper disposal methods as per the Material Safety Data Sheet (MSDS).