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3-Methylbutanal → 1alpha,3beta-Bis(methoxycarbonyloxy)-22-phenylsulfonylcholesta-5,7-dien-23-ol

HRID 1587625
Notes
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Reaction equation

HRID 1587625 reaction equation
[CH3:1][O:2][C:3]([O:5][C@@H:6]1[C@@:34]2([CH3:35])[C:10](=[CH:11][CH:12]=[C:13]3[C@@H:33]2[CH2:32][CH2:31][C@@:30]2([CH3:36])[C@H:14]3[CH2:15][CH2:16][C@@H:17]2[CH:18]([CH3:29])[CH2:19][S:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)(=[O:22])=[O:21])[CH2:9][C@@H:8]([O:37][C:38]([O:40][CH3:41])=[O:39])[CH2:7]1)=[O:4].C([N-]C(C)C)(C)C.[Li+].C([Li])CCC.[CH:55](=[O:60])[CH2:56][CH:57]([CH3:59])[CH3:58].[Cl-].[NH4+]>O1CCCC1.CCCCCC.C(NC(C)C)(C)C.C(OCC)C>[CH3:1][O:2][C:3]([O:5][C@@H:6]1[C@@:34]2([CH3:35])[C:10](=[CH:11][CH:12]=[C:13]3[C@@H:33]2[CH2:32][CH2:31][C@@:30]2([CH3:36])[C@H:14]3[CH2:15][CH2:16][C@@H:17]2[C@H:18]([CH3:29])[CH:19]([S:20]([C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=2)(=[O:21])=[O:22])[CH:55]([OH:60])[CH2:56][CH:57]([CH3:59])[CH3:58])[CH2:9][C@@H:8]([O:37][C:38]([O:40][CH3:41])=[O:39])[CH2:7]1)=[O:4]
ParticipantsConditionsProcedureWorkupSources & evidenceReaction notes

Participants

10

Reactant 5

HCID 115523-MethylbutanalHCID 25517Ammonium ChlorideHCID 2724682Lithium diisopropylamideHCID 541055811alpha,3beta-Bis(methoxycarbonyloxy)-20-methyl-21-phenylsulfonylpregna-5,7-dieneHCID 178418339Butyllithium

Product 1

HCID 18652386
1alpha,3beta-Bis(methoxycarbonyloxy)-22-phenylsulfonylcholesta-5,7-dien-23-ol
Yield 48.8%

Reagents, catalysts & solvents 4

HCID 3283Diethyl EtherSolventHCID 7912DiisopropylamineSolventHCID 8028TetrahydrofuranSolvent3×HCID 8058HexaneSolvent

Conditions

Temperature
-30 °C

Procedure

In 2 ml of tetrahydrofuran was dissolved 50 mg of 1α,3β-bis(methoxycarbonyloxy)-20-methyl-21-phenylsulfonylpregna-5,7-diene and the solution was cooled in a dry ice-acetone bath in an argon atmosphere. To the solution was added 0.4 ml of a solution of lithium diisopropylamide prepared from 2 ml of a 1.5N solution of butyllithium in hexane and 0.5 ml of diisopropylamine in 10 ml of tetrahydrofuran, and the resulting mixture was stirred at -30° C. for 30 minutes and then again cooled in a dry ice-acetone bath. A solution of 150 mg of isovaleraldehyde in 1 ml of tetrahydrofuran was added and the mixture was stirred for 4 hours while the mixture was gradually warmed to -30° C. A saturated aqueous solution of ammonium chloride was added to the reaction mixture and the mixture was allowed to warm to ambient temperature. Diethyl ether was added to the reaction mixture and the organic layer was separated, the aqueous layer was extracted with diethyl ether. The organic layer was combined, washed in sequence with an aqueous solution of sodium hydrogen carbonate and an aqueous solution of sodium chloride, then dried over sodium sulfate and concentrated. The residue was purified by silica gel column chromatography to give 28 mg of 1α,3β-bis(methoxycarbonyloxy)-22-phenylsulfonylcholesta-5,7-dien-23-ol.

Workup

  1. temperaturethe solution was cooled in a dry ice-acetone bath in an argon atmosphere
  2. temperatureagain cooled in a dry ice-acetone bath
  3. stirringthe mixture was stirred for 4 hours while the mixture
  4. temperaturewas gradually warmed to -30° C
  5. temperatureto warm to ambient temperature
  6. customthe organic layer was separated
  7. extractionthe aqueous layer was extracted with diethyl ether
  8. washwashed in sequence with an aqueous solution of sodium hydrogen carbonate
  9. dry with materialan aqueous solution of sodium chloride, then dried over sodium sulfate
  10. concentrationconcentrated
  11. customThe residue was purified by silica gel column chromatography

Sources & evidence

ORD record
ord-c3228e6f7e2449269b2c26071154f80d
Source dataset
uspto-grants-1993_06
DOI
10.6084/m9.figshare.5104873.v1
Patent number
US05218109

Reaction notes

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On this pageParticipantsConditionsProcedureWorkupSources & evidenceReaction notes