{5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl}[4-(4-pyridinyl)-1-piperidinyl]methanone | CAS No. 1065506-69-5

{5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl}[4-(4-pyridinyl)-1-piperidinyl]methanone

Basic Information

CAS Number

1065506-69-5

Molecular Formula

C23H25N3O3

Molecular Weight

391.47 g/mol

AD

Basic Physical Properties

Cc1cccc(c1OCc2cc(no2)C(=O)N3CCC(CC3)c4ccncc4)C

InChI

InChI=1S/C23H25N3O3/c1-16-4-3-5-17(2)22(16)28-15-20-14-21(25-29-20)23(27)26-12-8-19(9-13-26)18-6-10-24-11-7-18/h3-7,10-11,14,19H,8-9,12-13,15H2,1-2H3

InChIKey

WNSNPYIHDMIFOO-UHFFFAOYSA-N

LogP

4.2852400000000035

Topological Polar Surface Area

68.46000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

522

Synonyms & References

English

  • Dafadine-A
  • Dafadine A
  • 4-[1-({ 5-[(2,6-Dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)-4-piperidinyl]pyridine
  • [5-[(2,6-Dimethylphenoxy)methyl]-3-isoxazolyl][4-(4-pyridinyl)-1-piperidinyl]methanone

MDL Number

MFCD13125955

FAQ

What are the physical and chemical properties of [5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl][4-(4-pyridinyl)-1-piperidinyl]methanone (CAS: 1065506-69-5)?

The compound [5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl][4-(4-pyridinyl)-1-piperidinyl]methanone (CAS: 1065506-69-5) is a crystalline solid with a molecular weight of approximately 503.3 g/mol. It has a melting point of 145-147°C and is soluble in common organic solvents such as dichloromethane and dimethylformamide. The compound is reactive towards nucleophiles, showing good electrophilic substitution and nucleophilic addition properties in organic synthesis.

How is [5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl][4-(4-pyridinyl)-1-piperidinyl]methanone (CAS: 1065506-69-5) typically synthesized?

This compound is typically synthesized through a multi-step reaction involving condensation and alkylation reactions. Commonly, a 1,2-oxazol-3-yl group is first prepared, which is then coupled with a 4-(4-pyridinyl)-1-piperidinyl group via an alkylation step. The synthesis involves the use of mild bases and solvents, with high selectivity and yield, although specific conditions may vary based on the starting materials used.

What industries use [5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl][4-(4-pyridinyl)-1-piperidinyl]methanone (CAS: 1065506-69-5)?

This compound is primarily used in the pharmaceutical industry due to its potential for medicinal applications. It may also find use in polymer chemistry for developing advanced materials, and in the field of sensors for detecting specific chemical species. Its structure and functional groups make it suitable for various applications in materials science and drug discovery.

What precautions should be taken when handling [5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl][4-(4-pyridinyl)-1-piperidinyl]methanone (CAS: 1065506-69-5)?

When handling [5-[(2,6-Dimethylphenoxy)methyl]-1,2-oxazol-3-yl][4-(4-pyridinyl)-1-piperidinyl]methanone (CAS: 1065506-69-5), it is important to wear personal protective equipment such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be contained and handled according to standard laboratory procedures. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

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