1H-Indole-1-carboxylicacid, 2-borono-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-,1-(1,1-dimethylethyl) ester supplier

Name
5-(TERT-BUTYLDIMETHYLSILYLOXY)-1H-INDOLE-2-BORONIC ACID, N-BOC PROTECTED 98
EINECS
CAS No. 335649-61-1
Article Data4
CAS DataBase
Density 1.072 g/cm³
Solubility
Melting Point 104-106
Formula C₁₉H₃₀BNO₅Si
Boiling Point 486.721 °C at 760 mmHg
Molecular Weight 391.347
Flash Point 248.16 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms [1-(tert-Butoxycarbonyl)-5-[(tert-butyldimethylsilyl)oxy]-1H-indol-2-yl]boronicacid;[5-(tert-Butyldimethylsilanoxy)-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronicacid;
PSA 80.92000
LogP 3.48830

1H-Indole-1-carboxylicacid, 2-borono-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-,1-(1,1-dimethylethyl) ester Specification

The 1H-Indole-1-carboxylicacid, 2-borono-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-,1-(1,1-dimethylethyl) ester is an organic compound with the formula C₁₉H₃₀BNO₅Si. The systematic name of this chemical is [1-(Tert-butoxycarbonyl)-5-{[tert-butyl(dimethyl)silyl]oxy}-1H-indol-2-yl]boronic acid. With the CAS registry number 335649-61-1, it is also named as 1-Boc-5-tbdmso-2-indoleboronic acid. The product's categories are Blocks; Boronic acids; Indoles oxindoles. Besides, it should be stored in a cold place.

Physical properties about 1H-Indole-1-carboxylicacid, 2-borono-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-,1-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 10; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 182; (7)ACD/KOC (pH 7.4): 147; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 80.92 Å²; (12)Index of Refraction: 1.503; (13)Molar Refractivity: 107.862 cm³; (14)Molar Volume: 364.888 cm³; (15)Polarizability: 42.76×10^-24cm³; (16)Surface Tension: 31.409 dyne/cm; (17)Density: 1.072 g/cm³; (18)Flash Point: 248.16 °C; (19)Enthalpy of Vaporization: 79.257 kJ/mol; (20)Boiling Point: 486.721 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C19H30BNO5Si/c1-18(2,3)25-17(22)21-15-10-9-14(26-27(7,8)19(4,5)6)11-13(15)12-16(21)20(23)24/h9-12,23-24H,1-8H3
(2)InChIKey: NXKIUYOUKLIWLP-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C19H30BNO5Si/c1-18(2,3)25-17(22)21-15-10-9-14(26-27(7,8)19(4,5)6)11-13(15)12-16(21)20(23)24/h9-12,23-24H,1-8H3
(4)Std. InChIKey: NXKIUYOUKLIWLP-UHFFFAOYSA-N

Product Name

5-(TERT-BUTYLDIMETHYLSILYLOXY)-1H-INDOLE-2-BORONIC ACID, N-BOC PROTECTED 98

1H-Indole-1-carboxylicacid, 2-borono-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-,1-(1,1-dimethylethyl) ester Specification

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