5-Bromo-6-chloro-1H-indol-3-yl butyrate | CAS No. 873295-29-5

5-Bromo-6-chloro-1H-indol-3-yl butyrate

Basic Information

CAS Number

873295-29-5

Molecular Formula

C12H11BrClNO2

Molecular Weight

316.58 g/mol

AD

Basic Physical Properties

Melting Point

96-100 °C

CCCC(=O)OC1=CNC2=CC(=C(C=C21)Br)Cl

InChI

InChI=1S/C12H11BrClNO2/c1-2-3-12(16)17-11-6-15-10-5-9(14)8(13)4-7(10)11/h4-6,15H,2-3H2,1H3

InChIKey

VZAORBVTZPOGMO-UHFFFAOYSA-N

LogP

4.289300000000002

Topological Polar Surface Area

42.09 Ų

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

290

Synonyms & References

English

  • 5-BROMO-6-CHLORO-3-INDOXYLBUTYRATE
  • 873295-29-5
  • 5-Bromo-6-chloro-3-indoxyl butyrate
  • B-7060
  • (5-bromo-6-chloro-1H-indol-3-yl) butanoate
  • Butanoic acid,5-bromo-6-chloro-1H-indol-3-yl ester
  • NULL

MDL Number

MFCD00798385

FAQ

What are the physical and chemical properties of 5-Bromo-6-chloro-1H-indol-3-yl butyrate (CAS: 873295-29-5)?

5-Bromo-6-chloro-1H-indol-3-yl butyrate is a crystalline solid with a molecular weight of approximately 358.03 g/mol. It has limited water solubility (0.01 g/L at 20°C) and exhibits moderate reactivity with certain nucleophiles. The compound is stable under normal conditions but should be stored away from moisture and extreme temperatures.

How is 5-Bromo-6-chloro-1H-indol-3-yl butyrate (CAS: 873295-29-5) typically synthesized?

5-Bromo-6-chloro-1H-indol-3-yl butyrate is typically synthesized via a multistep process involving the bromination and chlorination of indole followed by esterification with butyric anhydride. The reaction is conducted in the presence of a Lewis acid catalyst and proceeds with high selectivity and good yield.

What industries use 5-Bromo-6-chloro-1H-indol-3-yl butyrate (CAS: 873295-29-5)?

5-Bromo-6-chloro-1H-indol-3-yl butyrate finds applications in the pharmaceutical industry for the development of novel bioactive compounds. It is also used in research for synthesizing other indole derivatives, which can be utilized in various fields such as polymers, sensors, and semiconductors.

What precautions should be taken when handling 5-Bromo-6-chloro-1H-indol-3-yl butyrate (CAS: 873295-29-5)?

When handling 5-Bromo-6-chloro-1H-indol-3-yl butyrate, it is essential to wear appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. The compound should be stored in a sealed container in a fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbents, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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