135250-41-8

Basic information

• Product Name: (E)-3-(6-bromo-1H-indol-3-yl)acrylic acid
• Synonyms: (E)-3-(6-bromo-1H-indol-3-yl)acrylic acid
• CAS NO: 135250-41-8
• Molecular Formula: C11H8 Br N O2
• Molecular Weight: 266.09
• Mol File: 135250-41-8.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 482.3±30.0 °C(Predicted)
• Appearance: /
• Density: 1.731±0.06 g/cm3(Predicted)
• PKA: 4.41±0.10(Predicted)
• CAS DataBase Reference: (E)-3-(6-bromo-1H-indol-3-yl)acrylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-3-(6-bromo-1H-indol-3-yl)acrylic acid(135250-41-8)
• EPA Substance Registry System: (E)-3-(6-bromo-1H-indol-3-yl)acrylic acid(135250-41-8)

Safety Data

• Hazardous Substances Data: 135250-41-8(Hazardous Substances Data)

Usage

Description

(E)-3-(6-bromo-1H-indol-3-yl)acrylic acid is a chemical compound with the molecular formula C11H8BrNO2, belonging to the indole class of heterocyclic aromatic organic compounds. It features a bromine atom, a double bond, and a carboxylic acid group, which contribute to its unique chemical properties and potential applications. The (E) in its name signifies the stereochemistry of the double bond, with the two highest priority substituents positioned on opposite sides. (E)-3-(6-bromo-1H-indol-3-yl)acrylic acid is widely utilized in organic synthesis and medicinal chemistry for the development of pharmaceuticals and other bioactive compounds, owing to its structural features and potential biological activities.

Uses

Used in Pharmaceutical Industry:
(E)-3-(6-bromo-1H-indol-3-yl)acrylic acid is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to be incorporated into complex molecular structures. Its presence in the molecular framework can modulate the pharmacological properties, such as potency, selectivity, and bioavailability of the resulting drug candidates.
Used in Organic Synthesis:
In the field of organic synthesis, (E)-3-(6-bromo-1H-indol-3-yl)acrylic acid serves as a versatile building block for the creation of a wide range of organic compounds. Its reactivity, stemming from the presence of the bromine atom and the carboxylic acid group, allows for various chemical transformations, such as halogenation, esterification, and amidation reactions.
Used in Drug Discovery:
(E)-3-(6-bromo-1H-indol-3-yl)acrylic acid is employed as a starting material in drug discovery for its potential to be a bioactive molecule. Its structural features, including the indole core and the bromo substituent, can be exploited to design and optimize new drug candidates with specific biological activities, such as enzyme inhibition, receptor modulation, or interaction with cellular targets.
Used in Medicinal Chemistry:
In medicinal chemistry, (E)-3-(6-bromo-1H-indol-3-yl)acrylic acid is utilized for the development of novel bioactive compounds with potential therapeutic applications. Its unique structural elements can be fine-tuned to achieve desired pharmacological properties, such as improved binding affinity, selectivity, and pharmacokinetic profiles, leading to the discovery of new drugs for the treatment of various diseases.
Overall, (E)-3-(6-bromo-1H-indol-3-yl)acrylic acid is a valuable chemical entity with diverse applications across different industries, particularly in the fields of pharmaceuticals, organic synthesis, drug discovery, and medicinal chemistry. Its unique structural features and potential biological activities make it an attractive candidate for the development of new drugs and other bioactive compounds.