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Sodium Hydroxide → HCID 69281970, 화합물

HRID 2362384
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HRID 2362384 반응식
[C:1](=[O:8])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])[NH2:2].[OH-].[Na+].Cl[O:12]C(C)(C)C.[Br:17][C:18]1[CH:19]=[N:20][CH:21]=[C:22](/[CH:24]=[CH:25]/[C:26]2[CH:31]=[C:30]([F:32])[CH:29]=[CH:28][C:27]=2[F:33])[CH:23]=1>C(O)CC.CC[C@@H]1[C@@H]2C[C@H]([C@@H](OC3C4C(=CC=CC=4)C(O[C@@H](C4C=CN=C5C=4C=C(OC)C=C5)[C@@H]4N5C[C@H](CC)[C@@H](CC5)C4)=NN=3)C3C=CN=C4C=3C=C(OC)C=C4)N(CC2)C1>[C:4]([O:3][C:1](=[O:8])[NH:2][C@H:24]([C:22]1[CH:21]=[N:20][CH:19]=[C:18]([Br:17])[CH:23]=1)[C@@H:25]([C:26]1[CH:31]=[C:30]([F:32])[CH:29]=[CH:28][C:27]=1[F:33])[OH:12])([CH3:7])([CH3:6])[CH3:5]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 14798Sodium HydroxideHCID 77922tert-Butyl carbamateHCID 521297Tert-Butyl hypochloriteHCID 69085480HCID 69085480, 화합물

생성물 1

HCID 69281970HCID 69281970, 화합물수율 134.2%

시약·촉매·용매 2

HCID 11217202
1,4-Bis(dihydroquinidine)phthalazine
촉매
HCID 10311-Propanol용매3회

실험 절차

To a solution of tert-butyl carbamate (83 g, 709 mmol) in 1-propanol (780 mL) was added 0.5 M of aqueous sodium hydroxide (1418 mL, 709 mmol), followed by tert-butyl hypochlorite (77 g, 709 mmol) (internal temperature 28.2° C.). The reaction mixture was stirred at ambient temperature for 10 min. To this reaction mixture was added (DHQD)2PHAL (5.52 g, 7.09 mmol) and 1-propanol (780 mL), followed by (E)-3-bromo-5-(2,5-difluorostyryl)pyridine (70.0 g, 236 mmol) and 1-propanol (780 mL). This white mixture was cooled to 0° C. with a methanol/ice bath. Then potassium osmate dihydrate (2.61 g, 7.09 mmol) was added to this mixture. After 30 min of stirring, the ice bath was removed. The reaction was stirred at room temperature overnight. After 16 h, the reaction mixture was partitioned with water (1 L) and EtOAc (2.4 L). The organic layer was washed with 5% sodium sulfite three times (Note: Each wash was mechanically stirred for 10 min to ensure reduction of osmium. The first two washes were dark; the third wash was clear. The organic layer was washed with brine (3×500 mL), dried (sodium sulfate), filtered, and concentrated to give 136 g of crude tert-butyl((1R,2R)-1-(5-bromopyridin-3-yl)-2-(2,5-difluorophenyl)-2-hydroxyethyl)carbamate and tert-butyl((1R,2R)-2-(5-bromopyridin-3-yl)-1-(2,5-difluorophenyl)-2-hydroxyethyl)carbamate (ca. 6:1 ratio). LC/MS (ES+) 430.9 (M+H, 100).

후처리

  1. temperatureThis white mixture was cooled to 0° C. with a methanol/ice bath
  2. stirringAfter 30 min of stirring
  3. customthe ice bath was removed
  4. stirringThe reaction was stirred at room temperature overnight
  5. waitAfter 16 h
  6. customthe reaction mixture was partitioned with water (1 L) and EtOAc (2.4 L)
  7. washThe organic layer was washed with 5% sodium sulfite three times (Note
  8. stirringEach wash was mechanically stirred for 10 min
  9. washthe third wash
  10. washThe organic layer was washed with brine (3×500 mL)
  11. dry with materialdried (sodium sulfate)
  12. filtrationfiltered
  13. concentrationconcentrated

출처 및 근거

ORD 기록
ord-a624331e28c14e18b0085bc4ce9c7d77
출처 데이터셋
uspto-grants-2014_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08691821B2

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