| Identification | Back Directory | [Name]
3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NITROBENZENE | [CAS]
68716-48-3 | [Synonyms]
Pinacol 3-Nitrobenzeneboronate
3-Nitrobenzeneboronic Acid Pinacol Cycl
3-NITROPHENYLBORONIC ACID, PINACOL ESTER
3-Nitrobenzeneboronic acid pinacol ester
3 - Nitrobenzene boric 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
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)-;
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)nitrobenzene, 4,4,5,5-Tetramethyl-2-(3-nitrophenyl)-1,3,2-dioxaborolan | [Molecular Formula]
C12H16BNO4 | [MDL Number]
MFCD05663879 | [MOL File]
68716-48-3.mol | [Molecular Weight]
249.07 |
| Chemical Properties | Back Directory | [Melting point ]
76-80 °C(lit.)
| [Boiling point ]
351.7±25.0 °C(Predicted) | [density ]
1.14±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
solid | [color ]
white to off-white | [InChI]
InChI=1S/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 | [InChIKey]
JWEAFTZTLIGAQU-UHFFFAOYSA-N | [SMILES]
O1C(C)(C)C(C)(C)OB1C1=CC=CC([N+]([O-])=O)=C1 |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36/37/38 | [Safety Statements ]
26-36/37 | [WGK Germany ]
2
| [TSCA ]
No | [HS Code ]
2931900090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
3-Nitrophenylboronic Acid Pinacol Ester is used in the preparation of [(pyrimidoindolyl)phenyl]benzamide derivatives and analogs as Janus kinase inhibitors. | [Synthesis]
3-Nitrophenylboronic acid pinacol ester was prepared as follows: in a dry tubular reactor under argon, 3-nitrophenyl diazonium tetrafluoroborate (1 mmol) and ferrocene (10 μmol, 1.8 mg) were dissolved in 2 mL of anhydrous CH3CN. Diisopropylaminoborane (2 |
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