68716-48-3

68716-48-3 - Names and Identifiers

Name	3-Nitrophenylboronic acid pinacol ester
Synonyms	Pinacol 3-Nitrobenzeneboronate 3-Nitrophenylboronic acid pinacol ester 3-Nitrobenzeneboronic acid pinacol ester 3-Nitrobenzeneboronic Acid Pinacol Cyclic Ester 4,4,5,5-TetraMethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolan 4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane 2-(3-Nitrophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane 4,4,5,5-TetraMethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolane 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-(3-NITROPHENYL)- 3-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-Yl)Nitrobenzene 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(3-nitrophenyl)-
CAS	68716-48-3
InChI	InChI=1/C12H16BNO4/c1-11(2)12(3,4)18-13(17-11)9-6-5-7-10(8-9)14(15)16/h5-8H,1-4H3

68716-48-3 - Physico-chemical Properties

Molecular Formula	C12H16BNO4
Molar Mass	249.07
Density	1.14±0.1 g/cm3(Predicted)
Melting Point	76-80 °C (lit.)
Boling Point	351.7±25.0 °C(Predicted)
Flash Point	166.5°C
Vapor Presure	8.17E-05mmHg at 25°C
Appearance	solid
Color	white to off-white
Storage Condition	2-8°C
Refractive Index	1.515

68716-48-3 - Risk and Safety

Hazard Symbols	Xi - Irritant
Risk Codes	36/37/38 - Irritating to eyes, respiratory system and skin.
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves.
WGK Germany	2
TSCA	No

68716-48-3 - Reference Information

Use

3-nitrobenzeneboronic acid-alkanol ester can be used as a pharmaceutical synthesis intermediate.

preparation

the preparation of 3-nitrobenzeneboronic acid cyanate ester is as follows: in a dry tubular reactor under argon, 3-nitrobenzenediazotetrafluoroborate (1mmol) and ferrocene (10 μmol,1.8mg) were dissolved in 2ml of anhydrous CH3CN. Diisopropylaminoborane (2mmol,226mg) was then added to the solution, and the mixture was stirred at room temperature for 2 hours and 30 minutes. The reaction mixture (2ml) was quenched by slow addition of anhydrous MeOH at 0 °c and stirred for an additional 1 hour at room temperature. After removal of all volatiles, to Et2O(2ml) was added 1.3 equivalents of sterol and the mixture was stirred at room temperature for 4 hours. The crude mixture was washed with 50g / L CuCl2 solution (2 x 5ml). The organic layer was removed, dried over Na2SO4, filtered and concentrated to dryness. The resulting oil was dissolved with CH2Cl 2 and the silica gel pad was filtered and eluted with CH2Cl2 to give the corresponding Boronic ester, 3-nitrobenzeneboronic acid cyanol ester.

Last Update：2024-04-10 22:29:15