1-(4-Pyridinyl)-1-propanone

Basic Information

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CAS Number

1701-69-5

Molecular Formula

C8H9NO

Molecular Weight

135.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

230 ºC

Flash Point

98 ºC

Refractive Index

1.5199

SMILES

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CCC(=O)C1=CC=NC=C1

InChI

InChI=1S/C8H9NO/c1-2-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3

InChIKey

AFHFHXVRHACYSR-UHFFFAOYSA-N

LogP

1.6743

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

116

Synonyms & References

English

CS-0215468
SB52587
WLN: T6NJ DV2
Z513733916
SCHEMBL805505
4-Propionylpyridine
1-Propanone, 1-(4-pyridyl)-
Ketone, ethyl 4-pyridyl
AKOS006029820
MFCD00041229
1-pyridin-4-ylpropan-1-one
BAA70169
LS-123175
UNII-GWM94I83NR
Ethyl 4-pyridyl ketone
BRN 0111366
4-Pyridyl ethyl ketone
4-propionyl pyridine
1701-69-5
CHEMBL2251614
NSC31619
FT-0605775
1-(4-Pyridinyl)-1-propanone
NSC 31619
AMY202100037
1-Propanone, 1-(4-pyridinyl)-
N12310
ETHYL 4-PYRIDYLKETONE
A811176
1-(4-pyridyl)propan-1-one
EN300-250285

MDL Number

MFCD00041229

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-(4-Pyridinyl)-1-propanone (CAS: 1701-69-5)?

1-(4-Pyridinyl)-1-propanone is a colorless liquid with a molecular weight of approximately 135.16 g/mol. It has a solubility of about 13.6 g/100 mL in water and is soluble in most organic solvents. Chemically, it is moderately reactive, forming stable complexes with transition metal salts and is used as a ligand in coordination chemistry. It is also known for its use in spectroscopy due to its characteristic UV-Vis absorption peaks.

How is 1-(4-Pyridinyl)-1-propanone (CAS: 1701-69-5) typically synthesized?

1-(4-Pyridinyl)-1-propanone can be synthesized via a condensation reaction of 4-pyridinecarboxaldehyde with acetone using a mild base such as sodium acetate. The reaction is typically carried out in an aqueous medium at room temperature, yielding a 70-80% isolated yield. The use of appropriate catalysts can improve selectivity and yield.

What industries use 1-(4-Pyridinyl)-1-propanone (CAS: 1701-69-5)?

1-(4-Pyridinyl)-1-propanone is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various organic compounds and drugs. Additionally, it is used in polymer synthesis and as a ligand in coordination chemistry. Its application in sensor technology for detecting organic compounds and in semiconductor manufacturing is also noteworthy.

What precautions should be taken when handling 1-(4-Pyridinyl)-1-propanone (CAS: 1701-69-5)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn when handling 1-(4-Pyridinyl)-1-propanone. It should be stored in a fume hood to prevent inhalation. Spills should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.