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[ CAS No. 929626-18-6 ]

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Chemical Structure| 929626-18-6
Chemical Structure| 929626-18-6
Structure of 929626-18-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 929626-18-6 ]

CAS No. :929626-18-6 MDL No. :MFCD09751432
Formula : C9H11BO4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :193.99 g/mol Pubchem ID :-
Synonyms :

Safety of [ 929626-18-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 929626-18-6 ]

  • Downstream synthetic route of [ 929626-18-6 ]

[ 929626-18-6 ] Synthesis Path-Downstream   1~7

  • 1
  • [ 929626-17-5 ]
  • [ 929626-18-6 ]
YieldReaction ConditionsOperation in experiment
Stage #1: methyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate With sodium periodate In tetrahydrofuran; water for 0.25h; Stage #2: With hydrogenchloride In tetrahydrofuran; water for 4h;
466 mg Stage #1: methyl 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate With sodium periodate; water In tetrahydrofuran at 23℃; for 8h; Inert atmosphere; Stage #2: With hydrogenchloride In tetrahydrofuran; water for 1h; Inert atmosphere;
  • 2
  • [ 99-36-5 ]
  • [ 929626-18-6 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 1-methoxycarbonyl-3-methylbenzene With pinacol borane; bis(pinacol)diborane; 4,4'-di-tert-butyl-2,2'-bipyridine In cyclohexane at 80℃; for 24h; Stage #2: With sodium periodate In tetrahydrofuran; water for 0.5h; Stage #3: With hydrogenchloride In tetrahydrofuran; water at 20℃; for 17h;
Multi-step reaction with 2 steps 1.1: 4,4'-di-tert-butyl-2,2'-bipyridine / [Ir(COD)(OMe)]2 / tetrahydrofuran / 16 h / 80 °C 2.1: sodium periodate / tetrahydrofuran; H2O / 0.25 h 2.2: HCl / H2O; tetrahydrofuran / 4 h
  • 3
  • [ 929626-18-6 ]
  • [ 108-69-0 ]
  • N-(3,5-dimethylphenyl)-3-methoxycarbonyl-5-methylphenylamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With 2,6-dimethylpyridine; air; 1-decanoic acid In toluene at 20℃; for 24h;
  • 4
  • [ 929626-18-6 ]
  • [ 660416-38-6 ]
YieldReaction ConditionsOperation in experiment
72% Stage #1: (3-methoxycarbonyl-5-methyl-phenyl)boronic acid With sodium hydroxide In methanol at 23℃; for 0.25h; Inert atmosphere; Stage #2: With silver trifluoromethanesulfonate In methanol at 0℃; for 0.5h; Inert atmosphere; Stage #3: With Selectfluor In acetone at 23℃; for 1h; Inert atmosphere; Molecular sieve; regiospecific reaction;
  • 5
  • [ 99-36-5 ]
  • [ 73183-34-3 ]
  • [ 929626-18-6 ]
YieldReaction ConditionsOperation in experiment
80% Stage #1: 1-methoxycarbonyl-3-methylbenzene; bis(pinacol)diborane In tetrahydrofuran at 23 - 80℃; Stage #2: With sodium periodate; water In tetrahydrofuran at 23℃; for 8h; Stage #3: With hydrogenchloride In tetrahydrofuran; water for 1h; 62 Example 62. 3-Methoxycarbonyl-5-methylphenyl boronic acid (S52)To m-toluic acid methyl ester (451 mg, 3.00 mmol, 1.00 equiv) in THF (6.0 mL) at 23 0C was added [Ir(COD)(OMe)]2 (10 mg, 0.015 mmol, 0.50 mol%), dtbpy (8.0 mg, 0.030 mmol, 1.0 mol%) and bis(pinacolato)diborone (610 mg, 2.40 mmol, 0.800 equiv). After stirring for 24 hr at 80 0C, the reaction mixture was added to H2O (6.0 mL) and NaIO4 (3.21 g, 15.0 mmol, 5.00 equiv). After stirring for 8.0 hr at 23 0C, the reaction mixture was added to IN HCl aq (10 mL) and was further stirred for 1.0 hr. To the reaction mixture was added EtOAc (20 mL) and the phases were separated. The aqueous phase was extracted with EtOAc (2 x 20 mL). The combined organic phases are washed with brine (20 mL) and dried (Na2SO4). The filtrate was concentrated in vacuo and the residue was purified by chromatography on silica gel eluting with hexanes/EtOAc 7:3 (v/v) to afford 466 mg of the title compound as a colorless solid (80% yield). R/ = 0.15 (hexanes/EtOAc 7:3 (v/v)). NMR Spectroscopy: 1U NMR (500 MHz,OMSO-d6, 23 0C, δ): 8.21 (s, IH), 8.19 (s, 2H), 7.84 (s, IH), 7.79 (s, IH), 3.83 (s, 3H), 2.35 (s, 3H). 13C NMR (125 MHz, OMSO-d6, 23 0C, δ): 166.71, 139.65, 136.97, 134.70 (br), 132.24, 131.14, 128.83, 51.99, 20.82.
  • 6
  • [ 929626-18-6 ]
  • [ 96898-10-1 ]
  • [ 1261650-22-9 ]
YieldReaction ConditionsOperation in experiment
65% Stage #1: (3-methoxycarbonyl-5-methyl-phenyl)boronic acid With sodium hydroxide In methanol at 23℃; for 0.25h; Inert atmosphere; Stage #2: With silver(I) hexafluorophosphate In methanol at 0℃; for 0.5h; Inert atmosphere; Stage #3: tris(dimethylamino)sulfonium trifluoromethoxide Further stages;
  • 7
  • [ 929626-18-6 ]
  • C25H39BrN6O6 [ No CAS ]
  • C34H48N6O8 [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With potassium phosphate; tetrakis(triphenylphosphine) palladium(0); XPhos In 1,4-dioxane; water at 90℃; for 16h; Inert atmosphere; Preparation of intermediate 12 A mixture of 1,4-dioxane and water (3:1, 15 ml) was degassed by bubbling nitrogen gas through the mixture. Intermediate 11(3.00 g, 5.00 mmol) and (3-methoxycarbonyl-5-methyl- phenyl)boronic acid (1 .79 g, 6.50 mmol) were dissolved. 2-Dicyclohexylphosphino-2’,4’,6’- triisopropylbiphenyl (Xphos) (143 mg, 0.30 mmol), tetrakis(triphenylphosphine)palladium(0) (116 mg, 0.10 mmol), and potassium phosphate tribasic (5.03 g, Seq.) were added and themixture was stirred under nitrogen gas at 90°C for 16 hours. The reaction mixture was cooled, passed over celite and the solvent was removed under reduced pressure. The residue was purified by flash column chromatography over silica gel using dichloromethane and methanol as eluents (gradient elution from 0% to 10% methanol). The product fractions were collected and the solvent was removed under reduced pressure.Yield: 3.00 g of intermediate 12 (90%)LCMS method 1: MH = 569 (MW-Boc), RT = 1.419 mm
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