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ChemicalBook--->CAS DataBase List--->284660-86-2

284660-86-2

284660-86-2 Structure

284660-86-2 Structure
IdentificationBack Directory
[Name]

2-Methoxycarbonylindole-5-boronicacid
[CAS]

284660-86-2
[Synonyms]

2-Methoxycarbonylindole-5-boronicacid
[2-(Methoxycarbonyl)-1H-indol-5-yl]boronic acid
1H-Indole-2-carboxylic acid, 5-borono-, 2-methyl ester
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
[Molecular Formula]

C10H10BNO4
[MDL Number]

MFCD09751354
[MOL File]

284660-86-2.mol
[Molecular Weight]

219
Chemical PropertiesBack Directory
[Boiling point ]

484.2±48.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[pka]

8.55±0.30(Predicted)
[Appearance]

Light yellow to yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methoxycarbonylindole-5-boronicacid(284660-86-2)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-indole-2-carboxylate

284660-89-5

Diethanolamine

111-42-2

2-Methoxycarbonylindole-5-boronicacid

284660-86-2

General procedure for the synthesis of (2-(methoxycarbonyl)-1H-indol-5-yl)boronic acid from methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate and diethanolamine: 1. 391.2 mg (1.3 mmol) of methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate was dissolved in ethyl acetate (EtOAc). 2. 0.25 mL (2.6 mmol) of diethanolamine was added to the solution and the reaction mixture was stirred overnight at room temperature. 3. Upon completion of the reaction, the white precipitate formed was collected by filtration. 4. The white precipitate was sonicated in 1N hydrochloric acid (HCl). 5. The treated white precipitate was again collected by filtration and dissolved in methanol (MeOH). 6. The methanol solution was concentrated in vacuum to afford the target product (2-(methoxycarbonyl)-1H-indol-5-yl)boronic acid with a recovery of 36.6 mg (13% yield). Product Characterization: HPLC retention time (Rf) = 13.912 min. 1H NMR (DMSO-d6, δ): 3.85 (s, 3H), 7.15 (s, 1H), 7.36 (d, J = 8.4 Hz, 1H), 7.67 (d, J = 8.4 Hz, 1H), 7.87 (s, 1H), 8.14 (s, 1H), 11.91 (s, 1H).

[References]

[1] Patent: US2008/4241, 2008, A1. Location in patent: Page/Page column 140-141
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