906644-32-4

Basic information

• Product Name: 1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethoxy)-, 1-(1,1-dimethylethyl) ester
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethoxy)-, 1-(1,1-dimethylethyl) ester;CVPJJNRTLCYWFL-UHFFFAOYSA-N
• CAS NO: 906644-32-4
• Molecular Formula: C14H15BF3NO5
• Molecular Weight: 0
• Mol File: 906644-32-4.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 440.4°C at 760 mmHg
• Flash Point: 220.1°C
• Appearance: /
• Density: 1.33g/cm³
• Vapor Pressure: 1.56E-08mmHg at 25°C
• Refractive Index: 1.501
• CAS DataBase Reference: 1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethoxy)-, 1-(1,1-dimethylethyl) ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethoxy)-, 1-(1,1-dimethylethyl) ester(906644-32-4)
• EPA Substance Registry System: 1H-Indole-1-carboxylic acid, 2-borono-6-(trifluoromethoxy)-, 1-(1,1-dimethylethyl) ester(906644-32-4)

Safety Data

• Hazardous Substances Data: 906644-32-4(Hazardous Substances Data)

Usage

Molecular weight

330.14 g/mol

Structure

The molecule consists of an indole ring with a carboxylic acid group attached to the 1-position, a boron atom with two phenyl rings attached, one of which has a trifluoromethoxy group at the 6-position, and a butyl group attached to the boron atom.

Appearance

White or off-white solid

Solubility

Soluble in organic solvents such as dimethyl sulfoxide (DMSO), tetrahydrofuran (THF), and acetonitrile

Reactivity

The boronic acid functional group can participate in various reactions, such as Suzuki-Miyaura cross-coupling, and the trifluoromethoxy group can impart unique chemical properties.

Uses

This compound is used as a reagent in the synthesis of pharmaceuticals and agrochemicals and has potential applications as a building block in the development of new drugs and biologically active compounds.

InChI:InChI=1/C14H15BF3NO5/c1-13(2,3)24-12(20)19-10-7-9(23-14(16,17)18)5-4-8(10)6-11(19)15(21)22/h4-7,21-22H,1-3H3