848357-99-3

Basic information

• Product Name: 1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester (9CI)
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester (9CI);KOPCAMMFYROHPZ-UHFFFAOYSA-N
• CAS NO: 848357-99-3
• Molecular Formula: C₁₉H₃₀BNO₅Si
• Molecular Weight: 391.34
• Mol File: 848357-99-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 486.7°C at 760 mmHg
• Flash Point: 248.2°C
• Appearance: /
• Density: 1.07g/cm³
• Vapor Pressure: 2.75E-10mmHg at 25°C
• Refractive Index: 1.502
• PKA: 8.33±0.30(Predicted)
• CAS DataBase Reference: 1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester (9CI)(848357-99-3)
• EPA Substance Registry System: 1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester (9CI)(848357-99-3)

Safety Data

• Hazardous Substances Data: 848357-99-3(Hazardous Substances Data)

Usage

Molecular weight

376.27 g/mol

Structure

1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester

Type

Boronic acid ester derivative of indole-1-carboxylic acid

Functional groups

Indole ring, carboxylic acid, boronic acid, t-butyl ester

Use

Reagent or catalyst in organic synthesis, particularly in the formation of carbon-carbon and carbon-heteroatom bonds

Boronic acid moiety

Allows participation in Suzuki-Miyaura cross-coupling reactions, valuable tool in the construction of complex organic molecules.

InChI:InChI=1/C19H30BNO5Si/c1-18(2,3)25-17(22)21-15-12-14(26-27(7,8)19(4,5)6)10-9-13(15)11-16(21)20(23)24/h9-12,23-24H,1-8H3

Upstream product

• 18162-48-6 tert-butyldimethylsilyl chloride 
• 2380-86-1 6-hydroxy-1H-indole 
• 854638-56-5 6-(tert-butyldimethylsilanyloxy)indole-1-carboxylic acid tert-butyl ester 
• 121-43-7 Trimethyl borate 
• 106792-41-0 6-<<(2,2-dimethylethyl)dimethylsilyl>oxy>indole 
• 34619-03-9 tert-butyldicarbonate 

Downstream Products

• 854638-74-7 5-benzyloxy-3-[1-tert-butoxycarbonyl-6-(tert-butyl-dimethylsilanyloxy)-1H-indol-2-yl]indazole-1-carboxylic Acid Tert-butyl Ester 
• 848357-91-5 2-[1-tert-butoxycarbonyl-5-(3-methoxyphenyl)-1H-thieno[3,2-c]pyrazol-3-yl]-6-(tert-butyldimethylsilanyloxy)indole-1-carboxylic acid tert-butyl ester 
• 848357-73-3 2-(1-tert-butoxycarbonyl-5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-6-(tert-butyldimethylsilanyloxy)indole-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

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Novel organophosphorus derivatives of indazoles and use thereof as medicinal products

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