1496-78-2

Basic information

• Product Name: 3-BroMo-2-Methyl-1H-indole
• CAS NO: 1496-78-2
• Molecular Formula: C₉H₈BrN
• Molecular Weight: 210.07052
• Mol File: 1496-78-2.mol
• Article Data: 19

Chemical Properties

• Appearance: /
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-BroMo-2-Methyl-1H-indole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BroMo-2-Methyl-1H-indole(1496-78-2)
• EPA Substance Registry System: 3-BroMo-2-Methyl-1H-indole(1496-78-2)

Safety Data

• Hazardous Substances Data: 1496-78-2(Hazardous Substances Data)

Usage

General Description

3-Bromo-2-methyl-1H-indole is a chemical compound classified as a bromoindole, consisting of a bromine atom substituted at the 3-position and a methyl group at the 2-position of the indole ring. It is commonly used as a building block in the synthesis of organic compounds, particularly in pharmaceutical research and development. 3-BroMo-2-Methyl-1H-indole has been studied for its potential biological activities, including as an antimicrobial and antiviral agent, and has been investigated for its potential in drug discovery. Additionally, 3-Bromo-2-methyl-1H-indole is known to undergo various chemical reactions, making it a versatile tool for the preparation of diverse molecular structures.

Upstream product

• 95-20-5 2-methyl-1H-indole 

Downstream Products

• 88919-88-4 2',3-Dimethyl-2,3'-bi-indolyl 
• 177274-66-7 1-phenylsulfonyl-3-bromo-2-methylindole 
• 95-20-5 2-methyl-1H-indole 
• 1542705-49-6 N-benzyl-2-(2-methyl-1H-indol-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine 
• 1627721-62-3 tert-butyl 2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate 
• 1558050-11-5 C₂₉H₂₆N₂O₄ 
• 1558050-10-4 C₂₈H₂₄N₂O₃ 
• 80360-21-0 1-(benzenesulfonyl)-2-methyl-1H-indole 
• 1297280-93-3 2-(3-(1-benzyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methyl-1H-indol-1-yl)acetic acid 
• 1297285-52-9 tert-butyl 2-(3-(1-benzyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methyl-1H-indol-1-yl)acetate 
• 1562995-24-7 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-2-methyl-1H-indol-3-yl)-3-fluorobenzoic acid 
• 1562995-75-8 methyl 4-(1-(2-chloro-6-(trifluoromethyl)benzoyl)-2-methyl-1H-indol-3-yl)-3-fluorobenzoate 
• 177274-70-3 N-allyl-N-((3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl)methyl)benzenesulfonamide 

Relevant articles and documents

Catalyst-Free 1,2-Dibromination of Alkenes Using 1,3-Dibromo-5,5-dimethylhydantoin (DBDMH) as a Bromine Source

A direct 1,2-dibromination method of alkenes is realized using 1,3-dibromo-5,5-dimethylhydantoin (DBDMH) as a bromine source. This reaction proceeds under mild reaction conditions without the use of a catalyst and an external oxidant. Various sorts of alkene substrates are transformed into the corresponding 1,2-dibrominated products in good to excellent yields with broad substrate scope and exclusive diastereoselectivity. This method offers a green and practical approach to synthesize vicinal dibromide compounds.

Predicting the Substrate Scope of the Flavin-Dependent Halogenase BrvH

The recently described flavin-dependent halogenase BrvH is able to catalyse both the bromination and chlorination of indole, but shows significantly higher bromination activity. BrvH was annotated as a tryptophan halogenase, but does not accept tryptophan as a substrate. Its native substrate remains unknown. A predictive model with the data available for BrvH was analysed. A training set of compounds tested in vitro was docked into the active site of a complete protein model based on the X-ray structure of BrvH. The atoms not resolved experimentally were modelled by using molecular mechanics force fields to obtain this protein model. Furthermore, docking poses for the substrates and known non-substrates have been calculated. Parameters like distance, partial charge and hybridization state were analysed to derive rules for predicting activity. With this model for activity of the BrvH, a virtual screening suggested several structures for potential substrates. Some of the compounds preselected in this way were tested in vitro, and several could be verified as convertible substrates. Based on information on halogenated natural products, a new dataset was created to specifically search for natural products as substrates/products, and virtual screening in this database yielded further hits.

Preparation method of diaryl heterocycle substituted hexafluorocyclopentene-based photochromic compound

The invention relates to a preparation method of a diaryl heterocycle substituted hexafluorocyclopentene-based photochromic compound, and belongs to an organic photochromic material. The preparation method comprises: 1, synthesizing 5-methyl-4-bromo-2-thiophene formaldehyde diethanol; 2, synthesizing 1,2-dimethyl-5-R1-3-bromoindole; and 3, synthesizing a diaryl heterocycle substituted hexafluorocyclopentene-based photochromic compound. According to the present invention, the prepared diaryl heterocycle substituted hexafluorocyclopentene-based photochromic compound has the red shift of the absorption wavelength of 50-100 nm, is a thermally-irreversible bistable state, and can be used in the fields of optical information storage, anti-counterfeiting recognition, concealing materials and military camouflage materials.