848357-46-0

Basic information

• Product Name: 1H-Indole-1,6-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 6-methyl ester (9CI)
• Synonyms: 1H-Indole-1,6-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 6-methyl ester (9CI);1-BOC-6-(methoxycarbonyl)indole-2-boronic acid;1-(t-Butoxycarbonyl)-6-(methoxycarbonyl)-1H-indol-2-ylboronic acid;(1-(tert-Butoxycarbonyl)-6-(Methoxycarbonyl)-1H-indol-2-yl)boronic acid
• CAS NO: 848357-46-0
• Molecular Formula: C₁₅H₁₈BNO₆
• Molecular Weight: 319.12
• Mol File: 848357-46-0.mol

Chemical Properties

• Boiling Point: 501.6°C at 760 mmHg
• Flash Point: 257.1°C
• Appearance: /
• Density: 1.24g/cm³
• Vapor Pressure: 7.01E-11mmHg at 25°C
• Refractive Index: 1.546
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 1H-Indole-1,6-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 6-methyl ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole-1,6-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 6-methyl ester (9CI)(848357-46-0)
• EPA Substance Registry System: 1H-Indole-1,6-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 6-methyl ester (9CI)(848357-46-0)

Safety Data

• Hazardous Substances Data: 848357-46-0(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
1H-Indole-1,6-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 6-methyl ester (9CI) is used as a building block in organic synthesis for the creation of complex organic molecules. Its unique structure allows for versatile chemical reactions, facilitating the synthesis of a wide range of compounds.
Used in Pharmaceutical Processes:
In the pharmaceutical industry, this boronic acid derivative may be utilized in the development of new drugs. Its ability to form stable complexes with biologically relevant molecules could be harnessed to design drugs with specific binding properties, potentially leading to novel therapeutic agents.
Used in Suzuki-Miyaura Cross-Coupling Reactions:
1H-Indole-1,6-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 6-methyl ester (9CI) is used as a reagent in Suzuki-Miyaura cross-coupling reactions, a widely employed method in organic chemistry for the formation of carbon-carbon bonds. Its boronic acid functionality makes it a suitable candidate for these reactions, contributing to the synthesis of various organic compounds, including those with potential pharmaceutical applications.
Further research may be required to fully understand the specific uses and properties of 1H-Indole-1,6-dicarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) 6-methyl ester (9CI), as its applications in different industries could be diverse and dependent on its chemical reactivity and stability.

InChI:InChI=1/C15H18BNO6/c1-15(2,3)23-14(19)17-11-7-10(13(18)22-4)6-5-9(11)8-12(17)16(20)21/h5-8,20-21H,1-4H3

Upstream product

• 50820-65-0 indole-6-carboxylic acid methyl ester 
• 1670-82-2 Indole-6-carboxylic acid 
• 24424-99-5 di-tert-butyl dicarbonate 
• 354587-63-6 indole-1,6-dicarboxylic acid 1-tert-butyl ester 6-methyl ester 

Downstream Products

• 1309788-62-2 benzyl (2-{6,6-dimethyl-1-[2-(trimethylsilyl)ethoxymethyl]-4,5,6,7-tetrahydro-1H-indazol-3-yl}-1-[2-(trimethylsilyl)ethoxymethyl]-1H-indol-6-yl)carbamate 
• 1309788-63-3 benzyl N-(2-{6,6-dimethyl-1-[2-(trimethylsilyl)ethoxymethyl]-4,5,6,7-tetrahydro-1H-indazol-3-yl}-1-[2-(trimethylsilyl)ethoxymethyl]-1H-indol-6-yl)-N-methylcarbamate 
• 1309784-03-9 benzyl N-{2-(6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)-1H-indol-6-yl}-N-methylcarbamate 
• 1309788-71-3 2-{6,6-dimethyl-1-[2-(trimethylsilyl)ethoxymethyl]-4,5,6,7-tetrahydro-1H-indazol-3-yl}-1-[2-(trimethylsilyl)ethoxymethyl]-1H-indole-6-carboxylic acid [2-(tert-butyldiphenylsilyloxy)-1-methylethyl]amide 
• 1309788-72-4 2-{6,6-dimethyl-1-[2-(trimethylsilyl)ethoxymethyl]-4,5,6,7-tetrahydro-1H-indazol-3-yl}-1-[2-(trimethylsilyl)ethoxymethyl]-1H-indole-6-carboxylic acid [2-(tert-butyldiphenylsilyloxy)-1-methylethyl]methylamide 
• 1238062-20-8 2-(1-tert-butoxycarbonyl-4-phenyl-1H-pyrazol-3-yl)-indole-1,6-dicarboxylic acid 1-tert-butyl ester 6-methyl ester 
• 1238062-48-0 2-[5-benzyl-1-(tetrahydro-pyran-2-yl)-1H-pyrazol-3-yl]-indole-1,6-dicarboxylic acid 1-tert-butyl ester 6-methyl ester 
• 1227625-75-3 2-benzyl-indole-1,6-dicarboxylic acid 1-tert-butyl ester 6-methyl ester 

Relevant articles and documents

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Provided is an agent for the treatment or prophylaxis of inflammatory diseases, allergic diseases, autoimmune diseases, transplant rejection or the like. A compound represented by the following formula [I] or a pharmaceutically acceptable salt thereof, or a solvate thereof: wherein each symbol is as described in the specification.

THIENOPYRAZOLES

Thienopyrazoles, their preparation, pharmaceutical compositions comprising these compounds, and their pharmaceutical uses in the treatment of disease states capable of being modulated by the inhibition of the protein kinases, in particular interleukin-2 inducible tyrosine kinase (ITK).