5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile | CAS No. 1338365-54-0

5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile

Basic Information

CAS Number

1338365-54-0

Molecular Formula

C22H25N3O2

Molecular Weight

363.45 g/mol

AD

Basic Physical Properties

N#Cc1cc(CC(N)C)cc2c1N(CCCOC(=O)c1ccccc1)CC2

InChI

InChI=1S/H3N/h1H3

InChIKey

QGZKDVFQNNGYKY-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Synonyms & References

English

  • 5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile
  • 1-(3-benzoyloxypropyl)-7-cyano-5-(2-aminopropyl)-2,3-dihydroindole
  • 5-[2-Aminopropyl]-1-[3-(benzoyloxy)propyl-2,3-dihydro-1H-indole-7-carbonitrile, ethanedioate(2:1)
  • .Benzoic acid 3-[5(R)-(2-amino-propyl)-7-cyano-2,3-dihydro-indol-1-yl]-propyl ester
  • 3-(5-(2-aminopropyl)-7-cyanoindolin-1-yl)propyl benzoate

MDL Number

MFCD29039488

FAQ

What are the physical and chemical properties of 5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile (CAS: 1338365-54-0)?

5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile is a crystalline solid with a molecular weight of approximately 473.44 g/mol. It has a limited water solubility and is more soluble in organic solvents such as dichloromethane and acetonitrile. The compound is reactive towards nucleophiles and can undergo various ring-opening reactions. It is stable under normal storage conditions but should be kept away from strong oxidizing agents and heat sources.

How is 5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile (CAS: 1338365-54-0) typically synthesized?

5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile is synthesized through a multi-step process involving the condensation of indole with a benzoyl chloride derivative, followed by alkylation and amination reactions. Commonly used solvents include dichloromethane, acetonitrile, and pyridine. The reaction is conducted under mild conditions, and the product is isolated by recrystallization or filtration, with yields typically ranging from 70-85%.

What industries use 5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile (CAS: 1338365-54-0)?

5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile is primarily used in the pharmaceutical industry for the development of novel drug candidates. It can also find applications in the polymer industry for the synthesis of advanced materials, and in the sensor industry for detecting specific chemical compounds. Its unique structural features make it a valuable compound in the field of organic chemistry and material science.

What precautions should be taken when handling 5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile (CAS: 1338365-54-0)?

When handling 5-(2-Aminopropyl)-1-[3-(benzoyloxy)propyl]-2,3-dihydro-1H-indole-7-carbonitrile, proper personal protective equipment (PPE) should be worn, including safety goggles, gloves, and a laboratory coat. The compound should be handled in a well-ventilated area, preferably in a fume hood, to avoid inhalation of vapors. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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