5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid | CAS No. 163521-19-5

5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid

Basic Information

CAS Number

163521-19-5

Molecular Formula

C26H26N4O3

Molecular Weight

442.51 g/mol

AD

Basic Physical Properties

C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)O

InChI

InChI=1S/C26H26N4O3/c27-16-18-4-6-23-22(13-18)19(17-28-23)3-1-2-8-29-9-11-30(12-10-29)21-5-7-24-20(14-21)15-25(33-24)26(31)32/h4-7,13-15,17,28H,1-3,8-12H2,(H,31,32)

InChIKey

RSXUEYFLDNUILS-UHFFFAOYSA-N

LogP

4.63178

Complexity

730

Synonyms & References

English

  • 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid
  • 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-Benzofurancarboxylic acid
  • Vilazodone
  • Vilazodone Carboxyli
  • Vilazodone Carboxylic acid
  • 1-[4-(5-cyanoindol-3-yl)butyl]-4-(2-carboxybenzofuran-5-yl)piperazine
  • Vilazodone Carboxy Acid
  • 2-Benzofurancarboxylic acid, 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-
  • 93K783WZV4
  • 5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}benzofuran-2-carboxylic acid
  • 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-2-benzofurancarboxylic acid
  • 2-Benzofurancarboxylic acid, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-
  • 2-Benzofurancarboxylic acid
  • Vilazodone carboxylic acid
  • 163521-19-5
  • CS-14419
  • 5-{4-[4-(5-Cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxylic acid
  • DA-18280
  • Vilazodone metabolite M10
  • UNII-93K783WZV4
  • BCP12355
  • I11783
  • 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid
  • AKOS016004184
  • MFCD09833264
  • DTXSID70458579
  • SCHEMBL2162650
  • 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylicacid
  • RSXUEYFLDNUILS-UHFFFAOYSA-N
  • CS-M1885
  • HY-I0177

MDL Number

MFCD09833264

FAQ

What are the physical and chemical properties of 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid (CAS: 163521-19-5)?

5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid is a crystalline solid with a molecular weight of approximately 513.35 g/mol. It is moderately soluble in common organic solvents like DMSO and methanol, but less soluble in water. The compound is reactive towards base conditions and exhibits good stability under acidic conditions. Its reactivity is influenced by the presence of the indole and piperazine rings.

How is 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid (CAS: 163521-19-5) typically synthesized?

5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid is usually synthesized by coupling a benzofuran-2-carboxylic acid derivative with a piperazine bearing a 5-cyano-1H-indol-3-yl substituent. This is typically achieved through multi-step procedures involving condensation reactions and protective group manipulations. The yield is generally around 70-80%, and the purity is improved through recrystallization.

What industries use 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid (CAS: 163521-19-5)?

5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid is primarily used in the pharmaceutical industry for the development of novel drug candidates. It may also find applications in polymer science for specific additive functions and in sensor technology for its unique chemical reactivity. Its use in semiconductor technology is less common but possible due to its electronic properties.

What precautions should be taken when handling 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid (CAS: 163521-19-5)?

When handling 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid (CAS: 163521-19-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate absorbent materials and transferred to a waste container for disposal. Always refer to the Safety Data Sheet (SDS) for specific handling guidelines and emergency procedures.

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