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| | Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Basic information |
| Product Name: | Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- | | Synonyms: | Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-;1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea;EOS-60368;1-(3,3-Dimethylbutyl) | | CAS: | 1454682-74-6 | | MF: | C20H32BFN2O3 | | MW: | 378.29 | | EINECS: | | | Product Categories: | | | Mol File: | 1454682-74-6.mol | ![Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Structure](CAS/20180629/GIF/1454682-74-6.gif) |
| | Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Chemical Properties |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| | Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Usage And Synthesis |
| 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 |
| | Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- Preparation Products And Raw materials |
| Raw materials | 3,3-Dimethylbutylamine-->2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine-->3,3-dimethylbutan-1-amine hydrochloride-->prop-1-en-2-yl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate-->Phenyl chloroformate-->1-Methylpyrrolidine-->1,4-Dioxane |
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