HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Potassium Carbonate → 5-[4-(1-ethyl-1-{4-[5-(1-ethyl-1-hydroxy-propyl)-3-methyl-thiophen-2-yl]-3-methyl-phenyl}-propyl)-2-methyl-phenoxy]-4(R)-hydroxy-pentanoic Acid

HRID 546840
Notes
Print preview

Reaction equation

HRID 546840 reaction equation
[CH2:1]([Mg]Br)[CH3:2].CO[C:7]([C:9]1[S:10][C:11]([C:15]2[CH:20]=[CH:19][C:18]([C:21]([C:26]3[CH:31]=[CH:30][C:29]([O:32][Si](C(C)(C)C)(C)C)=[C:28]([CH3:40])[CH:27]=3)([CH2:24][CH3:25])[CH2:22][CH3:23])=[CH:17][C:16]=2[CH3:41])=[C:12]([CH3:14])[CH:13]=1)=[O:8].[F-].C([N+](CC[CH2:58][CH3:59])(CCCC)CCCC)CCC.C1(C)C=CC(S(O[CH2:70][C@@H:71]2[O:75][C:74](=[O:76])[CH2:73][CH2:72]2)(=O)=O)=CC=1.C(=O)([O-])[O-:79].[K+].[K+]>O1CCCC1.CN(C)C=O.C(OCC)(=O)C>[CH2:24]([C:21]([C:26]1[CH:31]=[CH:30][C:29]([O:32][CH2:70][C@H:71]([OH:75])[CH2:72][CH2:73][C:74]([OH:76])=[O:79])=[C:28]([CH3:40])[CH:27]=1)([C:18]1[CH:19]=[CH:20][C:15]([C:11]2[S:10][C:9]([C:7]([CH2:1][CH3:2])([OH:8])[CH2:58][CH3:59])=[CH:13][C:12]=2[CH3:14])=[C:16]([CH3:41])[CH:17]=1)[CH2:22][CH3:23])[CH3:25]
ParticipantsProcedureWorkupSources & evidenceReaction notes

Participants

9

Reactant 5

HCID 11430Potassium CarbonateHCID 2724141Tetrabutylammonium FluorideHCID 7021461(R)-(-)-Dihydro-5-(p-tolylsulfonyloxymethyl)-2(3H)-furanoneHCID 577090565-(4-{1-[4-(t-butyl-dimethyl-silanyloxy)-3-methyl-phenyl]-1-ethyl-propyl}-2-methyl-phenyl)-4-methyl-thiophene-2-carboxylic Acid Methyl EsterHCID 178418443HCID 178418443, compound

Product 1

HCID 577091045-[4-(1-ethyl-1-{4-[5-(1-ethyl-1-hydroxy-propyl)-3-methyl-thiophen-2-yl]-3-methyl-phenyl}-propyl)-2-methyl-phenoxy]-4(R)-hydroxy-pentanoic AcidYield 56%

Reagents, catalysts & solvents 3

HCID 6228DimethylformamideSolventHCID 8028TetrahydrofuranSolvent4×HCID 8857Ethyl AcetateSolvent3×

Procedure

A 0.96 M solution of ethylmagnesium bromide in tetrahydrofuran (0.08 mL, 0.077 mmol) was added to a solution of 5-(4-{1-[4-(t-butyl-dimethyl-silanyloxy)-3-methyl-phenyl]-1-ethyl-propyl}-2-methyl-phenyl)-4-methyl-thiophene-2-carboxylic acid methyl ester (Example 20-(2); 20 mg, 0.039 mmol) in tetrahydrofuran (0.1 mL) at 0° C., and the mixture was stirred at the same temperature for three hours. Ethyl acetate was added to the reaction solution. The organic layer was washed with a saturated aqueous sodium bicarbonate solution and brine and dried over anhydrous magnesium sulfate, and then the solvent was distilled off under reduced pressure. A 1.0 M solution of tetra-n-butylammonium fluoride in tetrahydrofuran (0.02 mL, 0.02 mmol) was added to a solution of the residue (7.8 mg) in tetrahydrofuran (0.4 mL), and the mixture was stirred at room temperature for one minute. Ethyl acetate was added to the reaction solution. The organic layer was sequentially washed with distilled water and brine and dried over anhydrous magnesium sulfate, and then the solvent was distilled off under reduced pressure. (R)-(−)-Dihydro-5-(p-tolyl-sulfonyloxymethyl)-2(3H)-furanone (5.8 mg, 0.022 mmol) and potassium carbonate (5 mg, 0.036 mmol) were added to a solution of the residue in N,N-dimethylformamide (0.1 mL) at room temperature, and the mixture was stirred at 105° C. for 11 hours. Ethyl acetate was added to the reaction solution. The organic layer was washed with brine and dried over anhydrous magnesium sulfate, and then the solvent was distilled off under reduced pressure. The residue was purified by silica gel chromatography (dichloromethane/methanol/triethylamine=70/10/0.4, developed three times) to give the title compound (1.5 mg, 56% in four steps).

Workup

  1. washThe organic layer was washed with a saturated aqueous sodium bicarbonate solution and brine
  2. dry with materialdried over anhydrous magnesium sulfate
  3. distillationthe solvent was distilled off under reduced pressure
  4. stirringthe mixture was stirred at room temperature for one minute
  5. washThe organic layer was sequentially washed with distilled water and brine
  6. dry with materialdried over anhydrous magnesium sulfate
  7. distillationthe solvent was distilled off under reduced pressure
  8. stirringthe mixture was stirred at 105° C. for 11 hours
  9. washThe organic layer was washed with brine
  10. dry with materialdried over anhydrous magnesium sulfate
  11. distillationthe solvent was distilled off under reduced pressure
  12. customThe residue was purified by silica gel chromatography (dichloromethane/methanol/triethylamine=70/10/0.4, developed three times)

Sources & evidence

ORD record
ord-ba4cbbaf364145b9b4ba8cbfc7001984
Source dataset
uspto-grants-2011_05
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US07935688B2

Reaction notes

Loading…

On this pageParticipantsProcedureWorkupSources & evidenceReaction notes