943637-14-7

Basic information

• Product Name: 1H-Indole-1-carboxylic acid, 2-borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-, 1-(1,1-dimethylethyl) ester
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-, 1-(1,1-dimethylethyl) ester;VWZDRKUIILQDLW-UHFFFAOYSA-N
• CAS NO: 943637-14-7
• Molecular Formula: C26H43BN2O5
• Molecular Weight: 474.44
• Mol File: 943637-14-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 604.5°C at 760 mmHg
• Flash Point: 319.4°C
• Appearance: /
• Density: 1.07g/cm³
• Vapor Pressure: 1.83E-15mmHg at 25°C
• Refractive Index: 1.519
• CAS DataBase Reference: 1H-Indole-1-carboxylic acid, 2-borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-, 1-(1,1-dimethylethyl) ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole-1-carboxylic acid, 2-borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-, 1-(1,1-dimethylethyl) ester(943637-14-7)
• EPA Substance Registry System: 1H-Indole-1-carboxylic acid, 2-borono-4-(3-hydroxy-3-methylbutyl)-6-[[methyl(1,2,2-trimethylpropyl)amino]methyl]-, 1-(1,1-dimethylethyl) ester(943637-14-7)

Safety Data

• Hazardous Substances Data: 943637-14-7(Hazardous Substances Data)

Usage

Indole ring

A five-membered aromatic ring system with a nitrogen atom at one position.

Borono group

A boron atom with an additional electron-withdrawing effect on the molecule.

Hydroxyl group

A polar functional group (-OH) that can participate in hydrogen bonding.

Methylbutyl group

An alkyl chain with four carbon atoms and a methyl group attached to the third carbon.

Tertiary amine

A nitrogen atom bonded to three organic groups, which can be protonated or deprotonated depending on the pH.

Suzuki coupling reactions

A type of cross-coupling reaction used in organic synthesis to form carbon-carbon bonds.

Potential applications

The compound may be useful in the development of new pharmaceuticals or agrochemicals due to its unique combination of functional groups.

InChI:InChI=1/C26H43BN2O5/c1-17(24(2,3)4)28(10)16-18-13-19(11-12-26(8,9)31)20-15-22(27(32)33)29(21(20)14-18)23(30)34-25(5,6)7/h13-15,17,31-33H,11-12,16H2,1-10H3

Upstream product

• 943637-12-5 4-(3-hydroxy-3-methyl-butyl)-6-{[methyl-(1,2,2-trimethyl-propyl)-amino]-methyl}-indole-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

TEC KINASE INHIBITORS

Disclosed are compounds of formula (I): (F) wherein Ri, R2, X and Ar are defined herein. The compounds of the invention inhibit Itk kinase and are therefore useful for treating diseases and pathological conditions involving inflammation, immunological disorders and allergic disorders. Also disclosed are processes for preparing these compounds and to pharmaceutical compositions comprising these compounds.