| Identification | More | [Name]
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE | [CAS]
171364-82-2 | [Synonyms]
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE
4-CYANOPHENYLBORONIC ACID PINACOL ESTER
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE 97%
4-Cyanobenzeneboronic acid, pinacol ester | [Molecular Formula]
C13H16BNO2 | [MDL Number]
MFCD03093897 | [Molecular Weight]
229.08 | [MOL File]
171364-82-2.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow to orange or light tan crystalline powde | [Melting point ]
95-99 °C(lit.) | [Boiling point ]
345.8±25.0 °C(Predicted) | [density ]
1.06±0.1 g/cm3(Predicted) | [storage temp. ]
Refrigerator (+4°C) | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Crystalline Powder | [color ]
Light yellow to orange or light tan | [CAS DataBase Reference]
171364-82-2(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3
| [TSCA ]
No | [HazardClass ]
IRRITANT | [HS Code ]
29319090 |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow to orange or light tan crystalline powde | [Uses]
4-(Cyanophenyl)boronic Acid Pinacol Ester is used to prepare arylparacyclophanes via Suzuki aryl cross-coupling of bromoparacyclophane with arylboronic acid and arylboronates. It’s also used to prepare tyrosine-modified analogs of α4β7 integrin inhibitor biotin-R8ERY. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 60, p. 7508, 1995 DOI: 10.1021/jo00128a024 | [Synthesis]
Under argon protection, 4-bromobenzonitrile 91.1 g (0.5 mol), sodium acetate 98.4 g (1.2 mol), diethylene glycol dimethyl ether 800 mL and bis(pinacolato)diboron 152.4 g (0.6 mol) were added sequentially, the reaction temperature was controlled at 140 °C, |
| Spectrum Detail | Back Directory | [Spectrum Detail]
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE(171364-82-2)1HNMR
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZONITRILE(171364-82-2)IR
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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AllyChem Co., Ltd.
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0411-62313318 13889470786 |
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