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Hydrochloric Acid → (22S,23S)-3alpha,7alpha-dihydroxy-22,23-methylene-5beta-cholan-24-oic acid

HRID 2093334
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HRID 2093334 반응식
[N+](=CC(OCC)=O)=[N-].O[C@@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC(OC)=O)C1.[CH3:38][C@@H:39]([CH2:43][C@H:44]([C@@H:46]1[C@:63]2([CH3:64])[C@H:49]([C@H:50]3[C@H:60]([CH2:61][C@@H:62]2O)[C@:58]2([CH3:59])[C@@H:53]([CH2:54][C@H:55]([OH:66])[CH2:56][CH2:57]2)[C@@H:52](CC)[C@H:51]3[OH:69])[CH2:48][CH2:47]1)[CH3:45])[C:40]([O-:42])=[O:41].[OH-].[Na+].Cl>C(Cl)Cl.CCO.C([O-])(=O)C.C([O-])(=O)C.C([O-])(=O)C.C([O-])(=O)C.[Rh+2].[Rh+2].O>[OH:66][C@@H:55]1[CH2:56][CH2:57][C@@:58]2([CH3:59])[C@H:53]([CH2:52][C@@H:51]([OH:69])[C@@H:50]3[C@@H:60]2[CH2:61][CH2:62][C@@:63]2([CH3:64])[C@H:49]3[CH2:48][CH2:47][C@@H:46]2[C@H:44]([CH3:45])[C@@H:43]2[CH2:38][C@@H:39]2[C:40]([OH:42])=[O:41])[CH2:54]1.[OH:66][C@@H:55]1[CH2:56][CH2:57][C@@:58]2([CH3:59])[C@H:53]([CH2:52][C@@H:51]([OH:69])[C@@H:50]3[C@@H:60]2[CH2:61][CH2:62][C@@:63]2([CH3:64])[C@H:49]3[CH2:48][CH2:47][C@@H:46]2[C@H:44]([CH3:45])[C@H:43]2[CH2:38][C@H:39]2[C:40]([OH:42])=[O:41])[CH2:54]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

11

반응물 5

HCID 313Hydrochloric AcidHCID 12192Ethyl diazoacetateHCID 14798Sodium HydroxideHCID 11069533Methyl chenodeoxycholateHCID 13172944223(S)-methyl-3alpha,7alpha,12alpha-trihydroxy-6alpha-ethyl-5beta-cholan-24-oate2회

생성물 2

HCID 11165617
(22S,23S)-3alpha,7alpha-dihydroxy-22,23-methylene-5beta-cholan-24-oic acid
수율 15%
HCID 11258221(22R,23R)-3alpha,7alpha-dihydroxy-22,23-methylene-5beta-cholan-24-oic acid수율 11.5%

시약·촉매·용매 4

HCID 152122Dirhodium tetraacetate촉매HCID 702Ethanol용매HCID 962Water용매HCID 6344Dichloromethane용매2회

실험 절차

Ethyl diazoacetate (0.478 g, 1.19 mmol) in dry CH2Cl2 (15 mL) was slowly added dropwise to a stirred suspension of 3α,7α-diacetoxy-5-norcholan-22,23-ene (1) (0.6 g, 1.39 mmol) in the presence of dirhodium (II) tetraacetate (9 mg, 0.02 mmol) in dry CH2Cl2 (15 mL) under nitrogen at room temperature. The reaction mixture was filtered and washed with H2O (20 mL), dried (Na2SO4), and evaporated under vacuum, thus affording a mixture of the four diastereoisomeric esters 2. The esters 2 were successively dissolved in EtOH (15 mL) and treated with a solution of 10 N NaOH (10 mL) at reflux for 4 h, cooled, poured onto cold H2O (50 mL), acidified with 2 N HCl, and extracted with EtOAc (3×15 mL). The organic phase was washed with brine (10 mL), dried (Na2SO4), and concentrated under vacuum. The residue was chromatographated on silica gel. Elution with CH2Cl2/MeOH 96/4 with AcOH 0.1% afforded 0.087 g (15% yield) of (22S,23S)-3α,7α-dihydroxy-22,23-methylene-5β-cholan-24-oic acid (Io5) and 0.065 g (11.5% yield) of (22R,23R)-3α,7α-dihydroxy-22,23-methylene-5β-cholan-24-oic acid (Iq5). Elution with CH2Cl2/MeOH 95.5/4.5 with 0.1% AcOH afforded 0.18 g (32% yield) of (22S,23R)-3α,7α-dihydroxy-22,23-methylene-5β-cholan-24-oic acid (Ip5) and 0.15 g (26.7% yield) of (22R,23S)-3α,7α-dihydroxy-22,23-methylene-5β-cholan-24-oic acid (Ir5) as white solids.

후처리

  1. filtrationThe reaction mixture was filtered
  2. washwashed with H2O (20 mL)
  3. dry with materialdried (Na2SO4)
  4. customevaporated under vacuum
  5. customthus affording
  6. temperatureat reflux for 4 h
  7. temperaturecooled
  8. extractionextracted with EtOAc (3×15 mL)
  9. washThe organic phase was washed with brine (10 mL)
  10. dry with materialdried (Na2SO4)
  11. concentrationconcentrated under vacuum
  12. washElution with CH2Cl2/MeOH 96/4 with AcOH 0.1%

출처 및 근거

ORD 기록
ord-ded29a0d14a1450e86397c8f68194b03
출처 데이터셋
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08445472B2

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