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1454682-74-6

1454682-74-6 Structure

1454682-74-6 Structure
IdentificationBack 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
Chemical PropertiesBack Directory
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
Hazard InformationBack Directory
[Synthesis]

3,3-DIMETHYLBUTYLAMINE

15673-00-4

prop-1-en-2-yl 2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate

1454682-73-5

Urea, N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

1454682-74-6

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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