1-(4-Methylphenyl)-2-(4-pyridinyl)ethanone

Basic Information

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CAS Number

100866-13-5

Molecular Formula

C14H13NO

Molecular Weight

211.26 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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CC1=CC=C(C=C1)C(=O)CC2=CC=NC=C2

InChI

InChI=1S/C14H13NO/c1-11-2-4-13(5-3-11)14(16)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3

InChIKey

XUCKHEMSKSGZAI-UHFFFAOYSA-N

LogP

2.8154200000000005

Topological Polar Surface Area

29.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

225

Synonyms & References

English

100866-13-5
SCHEMBL2512740
A897313
AKOS011843551
AB18193
1-(4-METHYLPHENYL)-2-(4-PYRIDYL)ETHANONE
2-(pyridin-4-yl)-1-p-tolylethanone
DTXSID30463725
CS-W006796
1-(4-methylphenyl)-2-pyridin-4-ylethanone
ETHANONE, 1-(4-METHYLPHENYL)-2-(4-PYRIDINYL)-
2-PYRIDIN-4-YL-1-P-TOLYL-ETHANONE
MFCD04114381
DS-1368
FS-3432
2-(Pyridin-4-yl)-1-(p-tolyl)ethanone
1-(4-METHYLPHENYL)-2-(PYRIDIN-4-YL)ETHAN-1-ONE
2-PYRIDIN-4-YL-1-P-TOLYL-ETHANONE,
Ethanone,1-(4-methylphenyl)-2-(4-pyridinyl)-
AX8027104
AB0034385
ST2416240
X8531
2-(pyridin-4-yl)-1-(p-tolyl)ethan-1-one
1-(4-me

MDL Number

MFCD21604769

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-(4-Methylphenyl)-2-(4-pyridinyl)ethanone (CAS: 100866-13-5)?

1-(4-Methylphenyl)-2-(4-pyridinyl)ethanone (CAS: 100866-13-5) is a white crystalline solid with a molecular weight of approximately 237.22 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is moderately reactive, showing basic properties due to the presence of the pyridinyl group.

How is 1-(4-Methylphenyl)-2-(4-pyridinyl)ethanone (CAS: 100866-13-5) typically synthesized?

1-(4-Methylphenyl)-2-(4-pyridinyl)ethanone (CAS: 100866-13-5) can be synthesized via a multistep reaction involving the coupling of 4-methylphenyl isocyanide and 4-pyridinecarbaldehyde. The reaction proceeds with high selectivity and yields up to 85% under optimized conditions with the use of appropriate catalysts and solvents.

What industries use 1-(4-Methylphenyl)-2-(4-pyridinyl)ethanone (CAS: 100866-13-5)?

1-(4-Methylphenyl)-2-(4-pyridinyl)ethanone (CAS: 100866-13-5) is primarily used in the pharmaceutical industry as an intermediate for drug synthesis. It also finds applications in the development of sensors and as a precursor in polymer synthesis for specific industrial applications.

What precautions should be taken when handling 1-(4-Methylphenyl)-2-(4-pyridinyl)ethanone (CAS: 100866-13-5)?

When handling 1-(4-Methylphenyl)-2-(4-pyridinyl)ethanone (CAS: 100866-13-5), ensure the use of personal protective equipment such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to avoid inhalation. Store the compound in a cool, dry place away from direct sunlight. In the event of a spill, immediately clean up with appropriate absorbents and dispose of according to local regulations. Refer to the safety data sheet (SDS) for detailed information.