1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium bromide | CAS No. 171429-43-9

1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium bromide

Basic Information

CAS Number

171429-43-9

Molecular Formula

C17H24BrNO2

Molecular Weight

354.28 g/mol

AD

Basic Physical Properties

CC1=[N+](C2=CC=CC=C2C1(C)C)CCCCCC(=O)O.[Br-]

InChI

InChI=1S/C17H23NO2.BrH/c1-13-17(2,3)14-9-6-7-10-15(14)18(13)12-8-4-5-11-16(19)20;/h6-7,9-10H,4-5,8,11-12H2,1-3H3;1H

InChIKey

YUUDHAOMIPLRQU-UHFFFAOYSA-N

LogP

0.69050

Complexity

398

Synonyms & References

English

  • 3H-Indolium, 1-(5-carboxypentyl)-2,3,3-trimethyl-, bromide
  • 1-(5-carboxypentyl)-2,3,3-trimethyl-3H-indolium bromide
  • SureCN2910111
  • CTK0E4677
  • AG-E-20800
  • ST012741
  • 6-(2,3,3-trimethyl-3-hydroindolyl)hexanoic acid, bromide
  • AGN-PC-00PHCM
  • 1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium bromide
  • 6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid,bromide
  • 6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid
  • bromide
  • 6-(2,3,3-TRIMETHYLINDOL-1-YL)-HEXANOIC ACID BROMIDE
  • 1-(5-carboxypentyl)-2,3,3-trimethylindoleninium bromide
  • 6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic Acid;bromide
  • MFCD02063103
  • 1-(5-carboxypentyl)-2,3,3-trimethylindolium bromide
  • 1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-iumbromide
  • AS-77756
  • 6-(2,3,3-trimethylindol-1-ium-1-yl)hexanoic acid;bromide
  • A50857
  • YUUDHAOMIPLRQU-UHFFFAOYSA-N
  • 1-(5-carboxypentyl)-2,3,3-trimethyl-3h-indolium bromide
  • 1-(5-CARBOXYPENTYL)-2,3,3-TRIMETHYLINDOL-1-IUM BROMIDE
  • SCHEMBL2910111
  • YSZC1835
  • AKOS024275531
  • 171429-43-9
  • DTXSID70573478

MDL Number

MFCD02063103

FAQ

What are the physical and chemical properties of 1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium bromide (CAS: 171429-43-9)?

This compound is a crystalline solid with a molecular weight of approximately 380.3 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetonitrile. Chemically, it is reactive towards bases and can act as a nucleophile. It undergoes protonation and can form complexes with metal ions.

How is 1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium bromide (CAS: 171429-43-9) typically synthesized?

This compound is usually synthesized via the condensation of 5-carboxypentanoyl chloride with 2,3,3-trimethylindoline-3-carbaldehyde in the presence of a base like triethylamine. The reaction typically yields a high purity product with a yield of around 75-85%. The process is selective and efficient.

What industries use 1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium bromide (CAS: 171429-43-9)?

This compound finds applications in the pharmaceutical industry as a potential drug candidate, in the polymer industry for functionalizing polymers, and in the sensor industry for detecting specific analytes. It also has potential in the semiconductor industry as a dopant.

What precautions should be taken when handling 1-(5-Carboxypentyl)-2,3,3-trimethyl-3H-indol-1-ium bromide (CAS: 171429-43-9)?

Handling this compound requires appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled in a fume hood with appropriate absorbent materials and the spill cleaned up following standard laboratory procedures as outlined in the safety data sheet (SDS).

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