| Identification | More | [Name]
4-(Bromomethyl)benzeneboronic acid pinacol ester | [CAS]
138500-85-3 | [Synonyms]
4-(BROMOMETHYL)BENZENEBORONIC ACID PINACOL ESTER
4-BROMOMETHYLPHENYLBORONIC ACID, PINACOL ESTER
4-(Bromomethyl)benzeneboronic acid pinacol cyclic ester
4-(Bromomethyl)phenylboronic acid pinacol cyclic ester~2-[(4-Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(Bromomethyl)phenylboronicacidpinacolcyclicester~2-[(4-Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-[(4-bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-(bromomethyl)phenylboronic acid pinacol cyclic ester | [EINECS(EC#)]
679-122-7 | [Molecular Formula]
C13H18BBrO2 | [MDL Number]
MFCD02179493 | [Molecular Weight]
297 | [MOL File]
138500-85-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
85-89 °C | [Boiling point ]
351.2±25.0 °C(Predicted) | [density ]
1.26±0.1 g/cm3(Predicted) | [storage temp. ]
Keep Cold | [solubility ]
soluble in Toluene | [form ]
powder | [color ]
white to off-white | [BRN ]
7921808 | [InChI]
InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3 | [InChIKey]
CBUOGMOTDGNEAW-UHFFFAOYSA-N | [SMILES]
O1C(C)(C)C(C)(C)OB1C1=CC=C(CBr)C=C1 | [CAS DataBase Reference]
138500-85-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
3261 | [WGK Germany ]
3 | [Hazard Note ]
Harmful/Irritant/Keep Cold | [TSCA ]
No | [HazardClass ]
8 | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
29349990 |
| Hazard Information | Back Directory | [Chemical Properties]
White powder | [Uses]
2-[4-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is used in the synthesis of metalloproteinase-13 inhibitors in the treatment of osteoarthritis. | [Synthesis]
Pinacol p-tolueneborate (10.91g, 50.0mmol), bromosuccinimide (NBS, 9.91g, 55.0mmol), and azobisisobutyronitrile (AIBN, 0.44g, 2.0mmol) were dissolved in dry of carbon tetrachloride (CCl4, 200 mL), stirred at reflux for 14 hours. The mixture was filtered, the solvent was evaporated, and the mixture was dissolved in ethyl acetate (200 mL). Wash once with distilled water (100 mL) and saturated sodium chloride aqueous solution (100 mL), dry with anhydrous sodium sulfate, and rotary evaporate. Finally, use petroleum ether as the eluent for column chromatography separation to obtain 4-(Bromomethyl)benzeneboronic acid pinacol ester
(11.30g, yield 76.1%).
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