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Silane, ((1-methoxy-2-methyl-1-propenyl)oxy)trimethyl- → methyl 3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2-dimethyl-4-phenylbutanoate

HRID 563408
Notes
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Reaction equation

HRID 563408 reaction equation
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[C:11](=[CH:12][C:13]([CH:17](O)[CH2:18][C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=4)=[CH:14][CH:15]=3)[CH:10]=[N:9]2)=[CH:4][CH:3]=1.[CH3:26][O:27][C:28]([O:32][Si](C)(C)C)=[C:29]([CH3:31])[CH3:30]>ClCCl.[Ti](Cl)(Cl)(Cl)Cl>[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]3[C:11](=[CH:12][C:13]([CH:17]([CH2:18][C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=4)[C:29]([CH3:31])([CH3:30])[C:28]([O:27][CH3:26])=[O:32])=[CH:14][CH:15]=3)[CH:10]=[N:9]2)=[CH:4][CH:3]=1
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

5

Reactant 2

HCID 552336Silane, ((1-methoxy-2-methyl-1-propenyl)oxy)trimethyl-HCID 670056011-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2-phenylethanol

Product 1

HCID 67005789methyl 3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2-dimethyl-4-phenylbutanoateYield 60%

Reagents, catalysts & solvents 2

HCID 24193Titanium TetrachlorideCatalyst
HCID 6344
Dichloromethane
Solvent

Conditions

Temperature
0 °C

Procedure

To a stirred solution of 1-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2-phenylethanol (290 mg, 0.87 mmol) and (1-methoxy-2-methylprop-1-enyloxy)trimethylsilane (0.7 mL, 3.5 mmol) in anhydrous dichloromethane (5 mL) was added titanium(IV) tetrachloride (1M solution in toluene, 1.9 mL, 1.9 mmol) dropwise at 0° C. under argon. The reaction mixture was stirred at 0° C. for 30 min and rt for 2 hr before being quenched by the slow addition of saturated aqueous sodium bicarbonate solution (15 mL). The mixture was filtered through a pad of celite that was then washed with dichloromethane (10 mL). The aqueous filtrate was reextracted with dichloromethane (10 mL). The combined dichloromethane layers were dried (Na2SO4), concentrated and purified by silica gel flash chromatography to give methyl 3-(1-(4-fluorophenyl)-1H-indazol-5-yl)-2,2-dimethyl-4-phenylbutanoate (216 mg, 0.52 mmol, 60% yield) as an oil.

Workup

  1. custombefore being quenched by the slow addition of saturated aqueous sodium bicarbonate solution (15 mL)
  2. filtrationThe mixture was filtered through a pad of celite that
  3. washwas then washed with dichloromethane (10 mL)
  4. dry with materialThe combined dichloromethane layers were dried (Na2SO4)
  5. concentrationconcentrated
  6. custompurified by silica gel flash chromatography

Sources & evidence

ORD record
ord-814d2b335d3e432e88562cf8833acbca
Source dataset
uspto-grants-2011_11
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US08067447B2

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes