2058-72-2

Basic information

• Product Name: 5-Bromo-1-methylisatin
• Synonyms: 5-Bromo-1-methylisatin;1-Methyl-5-bromo-1H-indole-2,3-dione;1-Methyl-5-bromo-2,3-dihydro-1H-indole-2,3-dione;1-Methyl-5-bromo-2,3-indolinedione;1-Methyl-5-bromoindoline-2,3-dione;5-Bromo-1-methyl-1H-indole-2,3-dione;5-Bromo-1-methylindoline-2,3-dione;5-bromo-1-methyl-indole-2,3-dione
• CAS NO: 2058-72-2
• Molecular Formula: C₉H₆BrNO₂
• Molecular Weight: 240.06
• Mol File: 2058-72-2.mol
• Article Data: 2

Chemical Properties

• Melting Point: 169.0 to 173.0 °C
• Boiling Point: 362.6 °C at 760 mmHg
• Flash Point: 173.1 °C
• Appearance: /
• Density: 1.729 g/cm³
• Vapor Pressure: 1.91E-05mmHg at 25°C
• Refractive Index: 1.64
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -3.33±0.20(Predicted)
• CAS DataBase Reference: 5-Bromo-1-methylisatin(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Bromo-1-methylisatin(2058-72-2)
• EPA Substance Registry System: 5-Bromo-1-methylisatin(2058-72-2)

Safety Data

• RTECS: NL7878000
• Hazardous Substances Data: 2058-72-2(Hazardous Substances Data)

Usage

General Description

5-Bromo-1-methylisatin is a chemical compound with the molecular formula C?H?BrNO. It is an isatin derivative, which is a class of organic compounds with a tetracyclic structure. 5-Bromo-1-methylisatin is a yellow crystalline solid and is used in various organic synthesis reactions and pharmaceutical research. It is commonly used as a building block in the synthesis of heterocyclic compounds and has been studied for its potential pharmacological properties, including its potential as an anti-cancer agent. The compound has also demonstrated antimicrobial and anti-inflammatory properties in some studies. Overall, 5-Bromo-1-methylisatin is a versatile chemical with potential applications in medicinal chemistry and drug discovery.

InChI:InChI=1/C9H6BrNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3

Upstream product

• 35452-54-1 4’-bromo-N-methylformanilide 

Downstream Products

• 69736-60-3 5-bromo-1-methyl-indoline-2,3-dione-3-oxime 
• 666819-45-0 5-bromo-1,1'-dimethyl-3-(1-methyl-1H-indole-3-yl)-3,3'-biindolin-2-one 
• 486994-31-4 (S)-5-bromo-3-hydroxy-1-methyl-3-(2-oxo-2-phenylethyl)indol-2-one 
• 1214750-12-5 (S)-5-bromo-3-(4-(dimethylamino)-2-methoxyphenyl)-3-hydroxy-1-methylindol-2-one 
• 1214750-35-2 (S)-5-bromo-3-(4-(diethylamino)-2-hydroxyphenyl)-3-hydroxy-1-methylindol-2-one 
• 1376616-04-4 C₂₇H₂₉BrN₂O₃ 
• 23563-33-9 8-bromo-5-methyl-5H[1,2,4]triazino[5,6-b]indole-3-thiol 
• 1604676-98-3 C₁₈H₁₂BrNO₃ 
• 1604677-13-5 C₁₈H₁₂BrNO₃ 

Relevant articles and documents

Transformations of N-arylpropiolamides to indoline-2,3-diones and acids via C≡C triple bond oxidative cleavage and C(sp2)–H functionalization

A new palladium-catalyzed oxidative conversion of N-arylpropiolamides and H2O to various indoline-2,3-diones and acids through the C≡C triple bond cleavage and C(sp2)–H functionalization is described, which is promoted by a cooperative action of catalytic CuBr2, 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO) and O2. The method provides a practical tool for transformations of alkynes by means of a C–H functionalization strategy, which enables the formation of one C–C bond and multiple C–O bonds in a single reaction with high substrates compatibility and excellent functional group tolerance.