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60524-00-7

60524-00-7 Structure

60524-00-7 Structure
IdentificationBack Directory
[Name]

tert-butyl (1H-indol-3-yl)methylcarbamate
[CAS]

60524-00-7
[Synonyms]

tert-butyl (1H-indol-3-yl)methylcarbamate
Carbamic acid, (1H-indol-3-ylmethyl)-, 1,1-dimethylethyl ester (9CI)
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C14H18N2O2
[MDL Number]

MFCD12405320
[MOL File]

60524-00-7.mol
[Molecular Weight]

246.3
Chemical PropertiesBack Directory
[Melting point ]

102-103 °C
[Boiling point ]

437.0±28.0 °C(Predicted)
[density ]

1.155±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

12.86±0.46(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P280
Hazard InformationBack Directory
[Uses]

(1H-Indol-3-ylmethyl)carbamic acid tert-butyl ester
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

(1H-INDOL-3-YL)METHANAMINE

22259-53-6

tert-butyl (1H-indol-3-yl)methylcarbamate

60524-00-7

The general procedure for the synthesis of tert-butyl (1H-indole-3-methyl)carbamate from di-tert-butyl dicarbonate and indole-3-methylamine was as follows: to a 500 mL four-necked flask were added indole-3-methylamine (21 g, 144 mmol), dichloromethane (200 mL), triethylamine (29 g, 288 mmol) and 4-dimethylaminopyridine (3.5 g, 29 mmol). A tetrahydrofuran solution of di-tert-butyl dicarbonate (35.5 g, 158 mmol) was added dropwise at room temperature. The reaction mixture was stirred at room temperature for 2 hours. Upon completion of the reaction, the mixture was washed with distilled water (100 mL x 2), dried over anhydrous sodium sulfate, concentrated under reduced pressure, and finally purified by column chromatography to afford the target product 3-(N-tert-butoxycarbonylaminomethyl)indole (15.9 g, 46% yield). The structure of the product was confirmed by 1H NMR (300 MHz, DMSO-d6): δ 10.87 (broad peak, 1H), 7.59 (single peak, 1H), 7.34 (single peak, 1H), 7.18-6.99 (multiple peaks, 4H), 4.26 (single peak, 2H), 1.39 (single peak, 9H).

[References]

[1] Patent: WO2017/120429, 2017, A1. Location in patent: Page/Page column 256
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