3'-{[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-4-biphenylcarboxylic acid | CAS No. 866823-73-6

3'-{[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-4-biphenylcarboxylic acid

Basic Information

CAS Number

866823-73-6

Molecular Formula

C30H30O4

Molecular Weight

454.57 g/mol

AD

Basic Physical Properties

Melting Point

238-241℃

Density

1.220

Solubility

DMSO: ≥18mg/mL

Cc1c2C(=O)C(Cc2cc(OCc3cccc(c3)c4ccc(cc4)C(=O)O)c1C)C5CCCC5

InChI

InChI=1S/C30H30O4/c1-18-19(2)28-25(15-26(29(28)31)22-7-3-4-8-22)16-27(18)34-17-20-6-5-9-24(14-20)21-10-12-23(13-11-21)30(32)33/h5-6,9-14,16,22,26H,3-4,7-8,15,17H2,1-2H3,(H,32,33)

InChIKey

KMKBEESNZAPKMP-UHFFFAOYSA-N

LogP

6.792840000000005

Topological Polar Surface Area

63.60000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Synonyms & References

English

  • 3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylic acid
  • BINA
  • biphenylindanone A
  • 3′-[[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl]biphenyl-4-carboxylic acid
  • Biphenylindanone A

MDL Number

MFCD19440914

FAQ

What are the physical and chemical properties of 3'-{[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-4-biphenylcarboxylic acid (CAS: 866823-73-6)?

The compound has a crystalline form with a molecular weight of approximately 494.51 g/mol. It has low solubility in water but is soluble in organic solvents. Chemically, it exhibits moderate reactivity, particularly towards nucleophiles. It is stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is 3'-{[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-4-biphenylcarboxylic acid (CAS: 866823-73-6) typically synthesized?

The compound is typically synthesized via a multi-step process involving coupling reactions, alkylation, and esterification. Key steps include the formation of a cyclopentyl derivative, followed by the introduction of the indene moiety, and finally, the attachment of the biphenyl group. The synthesis usually requires the use of Lewis acids and strong bases, with high selectivity and good yield.

What industries use 3'-{[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-4-biphenylcarboxylic acid (CAS: 866823-73-6)?

This compound finds applications in the pharmaceutical industry for its potential use as a precursor in drug synthesis. It is also used in the polymer industry for developing advanced materials with specific properties. Additionally, it may be employed in sensor technology and semiconductor manufacturing for its unique chemical structure.

What precautions should be taken when handling 3'-{[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl}-4-biphenylcarboxylic acid (CAS: 866823-73-6)?

Proper personal protective equipment (PPE) should be used, including gloves, goggles, and a lab coat. Handling should be conducted in a fume hood to minimize exposure. Spills should be cleaned up with appropriate absorbents, and the area should be well-ventilated. Safety data sheets (SDS) should be consulted for detailed information on handling and disposal. The compound should be stored in a cool, dry place away from direct sunlight and ignition sources.

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