| Identification | Back Directory | [Name]
1H-BenziMidazole-1-carboxylic acid, 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester | [CAS]
1021918-86-4 | [Synonyms]
1-Boc-5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoimidazole tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole-1-carboxylate tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole-1-carboxylate tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazole-1-carboxylate 1H-BenziMidazole-1-carboxylic acid, 5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-diMethylethyl ester | [Molecular Formula]
C18H25BN2O4 | [MDL Number]
MFCD24038762 | [MOL File]
1021918-86-4.mol | [Molecular Weight]
344.21 |
| Chemical Properties | Back Directory | [Boiling point ]
462.9±37.0 °C(Predicted) | [density ]
1.13±0.1 g/cm3(Predicted) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [pka]
2.49±0.10(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
1. tert-Butyl 5-bromo-1H-benzo[d]imidazole-1-carboxylate (10.2 mmol), pinacol ester of bis(boronic acid) (11.2 mmol), palladium(II) acetate (1.02 mmol), dichloro[1,1'-bis(diphenylphosphino)ferrocene]palladium(II) (1.02 mmol), and potassium acetate (30.4 mmol) were mixed in a mixed solution of 1,4-dioxane ( 50 mL) and triethylamine (2 mL) were mixed.2. The reaction mixture was heated at 110 °C overnight.3. Upon completion of the reaction, the mixture was concentrated under vacuum.4. The residue was purified by fast chromatography (eluent: 10% ethyl acetate/petroleum ether) to afford the target product 5-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2-yl)-1H-1H-1 . radical)-1H-benzo[d]imidazole-1-carboxylic acid tert-butyl ester as solid in 42% yield. | [References]
[1] Patent: WO2011/66211, 2011, A1. Location in patent: Page/Page column 71 [2] Patent: WO2009/7751, 2009, A2. Location in patent: Page/Page column 120-121 [3] Patent: WO2008/51493, 2008, A2. Location in patent: Page/Page column 151 [4] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 22, p. 6793 - 6799 [5] Patent: WO2013/28445, 2013, A1. Location in patent: Page/Page column 56; 57 |
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Cool Pharm, Ltd
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