2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate

Basic Information

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CAS Number

112017-99-9

Molecular Formula

C19H23NO2

Molecular Weight

297.4 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

SMILES

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CC(C)Cc1ccc(cc1)C(C)C(=O)OCc2ccccn2

InChI

InChI=1S/C19H23NO2/c1-14(2)12-16-7-9-17(10-8-16)15(3)19(21)22-13-18-6-4-5-11-20-18/h4-11,14-15H,12-13H2,1-3H3

InChIKey

ACEWLPOYLGNNHV-UHFFFAOYSA-N

LogP

4.127000000000003

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Synonyms & References

English

IBUPROFENPICONOL
2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate
Pyridin-2-ylmethyl 2-(4-isobutylphenyl)propanoate
pyridin-2-ylmethyl 2-[4-(2-methylpropyl)phenyl]propanoate
Unii-B0F91K5U4n

MDL Number

MFCD00866018

FAQ

What are the physical and chemical properties of 2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate (CAS: 112017-99-9)?

2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate (CAS: 112017-99-9) is a white crystalline solid with a molecular weight of 287.39 g/mol. It has good solubility in organic solvents like acetone and ethyl acetate, but limited solubility in water. The compound is moderately reactive and can undergo ester hydrolysis under basic conditions. It shows low reactivity toward nucleophilic and electrophilic reagents.

How is 2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate (CAS: 112017-99-9) typically synthesized?

2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate (CAS: 112017-99-9) is typically synthesized via esterification of 4-isobutylphenyl propanoic acid with 2-pyridinylmethyl alcohol under mild conditions. The reaction is catalyzed by a strong acid such as hydrochloric acid, and the yield is around 85%. The reaction is selective and proceeds with high purity.

What industries use 2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate (CAS: 112017-99-9)?

2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate (CAS: 112017-99-9) is used in the pharmaceutical industry for the synthesis of various medicinal compounds. It is also utilized in the polymer industry for modifying polymer properties and in the sensor industry for its chemical sensing capabilities. Additionally, it can be found in the semiconductor industry for specific applications.

What precautions should be taken when handling 2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate (CAS: 112017-99-9)?

When handling 2-Pyridinylmethyl 2-(4-isobutylphenyl)propanoate (CAS: 112017-99-9), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure that any operations are conducted in a well-ventilated area or a fume hood. Handle with care to avoid spills, which should be cleaned up immediately using appropriate absorbents. Always refer to the Safety Data Sheet (SDS) for detailed handling and storage instructions.