| Identification | Back Directory | [Name]
Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- | [CAS]
1454682-74-6 | [Synonyms]
EOS-60368 1-(3,3-Dimethylbutyl) 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- | [Molecular Formula]
C20H32BFN2O3 | [MDL Number]
MFCD30183445 | [MOL File]
1454682-74-6.mol | [Molecular Weight]
378.29 |
| Hazard Information | Back Directory | [Synthesis]
Method A: 2-Fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamic acid prop-1-en-2-yl ester (6.67 g, 19.90 mmol) was dissolved in dioxane (60 mL) and 3,3-dimethylbutan-1-amine (2.42 g, 23.9 mmol) and 1-methyl pyrrolidine (0.169 g, 1.99 mmol). The reaction mixture was stirred at 75°C overnight. Upon completion of the reaction, the mixture was cooled to room temperature, and the precipitated solid was collected by filtration and washed with ether to afford the target product 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (6.62 g, 88% yield, two-step total yield). Mass spectrometry (MS) analysis showed m/z: 379.2 ([M+H]+). | [References]
[1] Patent: WO2013/134243, 2013, A1. Location in patent: Page/Page column 14 [2] Journal of Medicinal Chemistry, 2015, vol. 58, # 10, p. 4165 - 4179 |
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