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| | 4-(Bromomethyl)benzeneboronic acid pinacol ester Basic information |
| Product Name: | 4-(Bromomethyl)benzeneboronic acid pinacol ester | | Synonyms: | 4-Bromomethylphenylboronic acid pinacol ester 95%;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 | | CAS: | 138500-85-3 | | MF: | C13H18BBrO2 | | MW: | 297 | | EINECS: | 679-122-7 | | Product Categories: | Boronic acids;blocks;BoronicAcids;Bromides | | Mol File: | 138500-85-3.mol |  |
| | 4-(Bromomethyl)benzeneboronic acid pinacol ester Chemical Properties |
| Melting point | 85-89 °C | | Boiling point | 351.2±25.0 °C(Predicted) | | density | 1.26±0.1 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | 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) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38-34 | | Safety Statements | 26-36/37/39-45 | | RIDADR | 3261 | | WGK Germany | 3 | | Hazard Note | Harmful/Irritant/Keep Cold | | TSCA | No | | HazardClass | IRRITANT | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29349990 |
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ALFA
| English |
| | 4-(Bromomethyl)benzeneboronic acid pinacol ester Usage And Synthesis |
| 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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| | 4-(Bromomethyl)benzeneboronic acid pinacol ester Preparation Products And Raw materials |
| Preparation Products | Filgotinib-->4-AMINOMETHYLPHENYLBORONIC ACID, PINACOL ESTER, HCL-->4-(Cyanomethyl)benzeneboronic acid pinacol ester-->3',6'-Bis{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oxy]-3H-[spiro(isobenzofuran-1,9,-xanthen]-3-one} FBBBE-->N-Ethyl-N-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanaMine |
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