110811-31-9

Basic information

• Product Name: 4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID
• Synonyms: Indole-3-carboxylic acid, 4-bromo;4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID;4-Bromoindole-3-carboxylic acid;4-bromo-1h-indole-3-carboxylic acid;4-Bromoindole-3-carboxylic acid 97%;4-Bromo-1H-indole-3-carboxylic acid 97%;3-Carboxy-4-bromo-1H-indole;4-Bromo-3-carboxy-1H-indole
• CAS NO: 110811-31-9
• Molecular Formula: C₉H₆BrNO₂
• Molecular Weight: 240.06
• Mol File: 110811-31-9.mol

Chemical Properties

• Melting Point: 137-138
• Boiling Point: 470.9 °C at 760 mmHg
• Flash Point: 238.6 °C
• Appearance: /
• Density: 1.838 g/cm³
• Vapor Pressure: 1.13E-09mmHg at 25°C
• Refractive Index: 1.749
• PKA: 2.43±0.10(Predicted)
• CAS DataBase Reference: 4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID(110811-31-9)
• EPA Substance Registry System: 4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID(110811-31-9)

Safety Data

• Hazard Codes: Harmful:
• Hazardous Substances Data: 110811-31-9(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Research:
4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its indole core and functional groups make it a valuable building block in the development of new drugs with potential therapeutic applications.
Used in Drug Development:
In the drug development industry, 4-BROMO-1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-3-CARBOXYLIC ACID is used as a starting material for the creation of novel drug candidates. Its unique structure and functional groups allow for the exploration of new chemical entities that could lead to the discovery of innovative treatments for various diseases and conditions.
Further research is needed to explore the specific properties and potential uses of 4-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid, as its full potential in pharmaceutical applications has yet to be fully realized.

InChI:InChI=1/C9H6BrNO2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/h1-4,11H,(H,12,13)

Upstream product

• 1182349-06-9 1-(4-bromo-1H-indol-3-yl)-2,2,2-trichloroethanone 
• 98600-34-1 4-bromo-1H-indole-3-carbaldehyde 

Downstream Products

• 101909-43-7 4-bromo-1H-indole-3-carboxylic acid methyl ester 
• 1210072-44-8 C₂₁H₂₀BrN₃O₅ 

Relevant articles and documents

Studies on the Claisen rearrangements in the indolo[2,3-b]quinoline system

A study of the effect of substrate structure on a Claisen-aza-Cope reaction is presented including a rationalisation of the reaction outcome using DFT calculations. An asymmetric version of the reaction is also described that is of relevance to a proposed

Drug design, in vitro pharmacology, and structure-activity relationships of 3-acylamino-2-aminopropionic acid derivatives, a novel class of partial agonists at the glycine site on the N-methyl-D-aspartate (NMDA) receptor complex

Retaining agonistic activity at the glycine coagonist site of the NMDA receptor in molecules derived from glycine or D-serine has proven to be difficult because in the vicinity of the α-amino acid group little substitution is tolerated. We have solved thi

A CONVENIENT SYNTHETIC APPROACH TO 4-SUBSTITUTED INDOLES

A simple and practical synthetic method for 4-halogenoindoles, 4-indolecarbaldehyde, 4-cyanoindole, and 4-methoxycarbonylindole is elaborated.