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[ CAS No. 1020174-04-2 ]

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Chemical Structure| 1020174-04-2
Chemical Structure| 1020174-04-2
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CAS No. :1020174-04-2 MDL No. :MFCD04114000
Formula : C10H17BN2O2 Boiling Point : 308.3°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :208.07 g/mol Pubchem ID :2760077
Synonyms :

Safety of [ 1020174-04-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1020174-04-2 ]

  • Upstream synthesis route of [ 1020174-04-2 ]
  • Downstream synthetic route of [ 1020174-04-2 ]

[ 1020174-04-2 ] Synthesis Path-Upstream   1~6

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Reference: [1] Patent: US2012/316166, 2012, A1, . Location in patent: Page/Page column 71
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YieldReaction ConditionsOperation in experiment
44.19% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane at 95℃; for 5 h; Inert atmosphere Intermediate 702: 1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
Compound 701 (0.2 g, 1.24 mmol) was dissolved in 5 ml of 1,4-dioxane, added with 0.378 g (1.49 mmol) of bis(pinacolato)diboron, 0.365 g (3.72 mmol) of potassium acetate, and 0.11 g (0.124 mmol) of [1,1-bis(di-phenylphosphino)ferrocene]palladium chloride dichloromethane complex under the protection of nitrogen, heated to 95 °C and reacted for 5 h, and then cooled to room temperature. 15 mL of water was added, stirred for 1 h, and filtered to afford 0.114 g of solid. Yield: 44.19percent.
Reference: [1] Patent: EP3072893, 2016, A1, . Location in patent: Paragraph 0394; 0395
[2] Patent: EP2818473, 2014, A1, . Location in patent: Paragraph 0578
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YieldReaction ConditionsOperation in experiment
54% With n-butyllithium In tetrahydrofuran at -65 - -50℃; for 2 h; Inert atmosphere; Large scale The compound 3-iodo-1-methyl-1H-pyrazole (2000 g, 9.6 mol, 1.0 eq)Was dissolved in 8 L of dry tetrahydrofuran,Then, Isopropoxyboronic acid pinacol ester (2146.1 g, 11.5 mol, 1.2 eq) was added to the solution,The solution was cooled to -65 to -50 ° C,Under argon protection,Was added dropwise n-butyllithium (6.25L, 12.5mol, 1.3eq),After completion of the dropwise addition, the reaction was stirred for 2 h at this low temperature,An aqueous solution of hydrochloric acid (1 mol / L) was added to the reaction solution to quench the reaction,The reaction solution was extracted three times with ethyl acetate,The combined organic layers were dried over saturated brine and the organic phase was concentrated. 1-methyl-1H-pyrazol-3-boronic acid pinacol ester(1080.9 g, 0.24 mol),Yield 54.0percentPurity 97percent +.
Reference: [1] Patent: CN105669733, 2016, A, . Location in patent: Paragraph 0037; 0038; 0039; 0040
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Reference: [1] Patent: WO2010/75270, 2010, A1, . Location in patent: Page/Page column 137
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Reference: [1] Patent: WO2018/13867, 2018, A1, . Location in patent: Paragraph 684
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Reference: [1] Patent: US2012/316166, 2012, A1, . Location in patent: Page/Page column 71
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