Identification | Back Directory | [Name]
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole | [CAS]
1107627-02-0 | [Synonyms]
1-Methylbenzimidazole-5-boronic Acid Pinacol Ester 1-Methyl-1H-benzimidazole-5-boronic acid pinacol ester 1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole 1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-benzo[d]iMidazole 1H-Benzimidazole, 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- 1-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]iMidazole | [Molecular Formula]
C14H19BN2O2 | [MDL Number]
MFCD16995902 | [MOL File]
1107627-02-0.mol | [Molecular Weight]
258.12 |
Chemical Properties | Back Directory | [Boiling point ]
400.8±37.0 °C(Predicted) | [density ]
1.11 | [storage temp. ]
2-8°C | [pka]
5.26±0.10(Predicted) | [Appearance]
Light brown to brown Solid |
Hazard Information | Back Directory | [Synthesis]
To a solution of 5-bromo-1-methyl-1H-benzo[d]imidazole (1.0 g, 4.74 mmol) in dioxane (10 mL) were added pinacol ester of bisboronic acid (1.5 g, 5.68 mmol), sodium 2-ethylhexanoate (1.968 g, 11.86 mmol), and Pd(dppf)Cl2-DCM (247 mg, 0.474 mmol ). The mixture was stirred at 110 °C for 4 h under nitrogen protection. After completion of the reaction, the mixture was poured into water (60 mL) and extracted with ethyl acetate (50 mL x 2). The organic layers were combined, dried with anhydrous Na2SO4, filtered and concentrated in vacuum. Purification by silica gel column chromatography (petroleum ether/ethyl acetate = 1/1) afforded 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole (1.0 g, 82%) as a yellow solid. lc-MS m/z: 259.1 [M + H]+. tR = 1.67 min. | [References]
[1] Patent: WO2017/176960, 2017, A1. Location in patent: Paragraph 00745 [2] Patent: US2013/225548, 2013, A1. Location in patent: Paragraph 0561 [3] Patent: WO2013/148603, 2013, A1. Location in patent: Paragraph 0219-0220 |
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skychemical Co.Ltd
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BePharm Ltd
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