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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-2H,3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate

HRID 1523230
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HRID 1523230 반응식
C(OC(N[C@@H](CC1C=CC=CC=1)C([O-])=O)=O)(C)(C)C.[OH:20][C@@H:21]1[C@H:25]2[O:26][C:27]([CH3:30])([CH3:29])[O:28][C@H:24]2[C@H:23]([NH3+:31])[CH2:22]1.Cl.C(=O)([O-])[O-].[K+].[K+].Cl[C:40]([O:42][CH2:43][C:44]1[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=1)=[O:41]>O.CC(CC(C)=O)C.C(OCC)(=O)C>[OH:20][C@@H:21]1[C@H:25]2[O:26][C:27]([CH3:29])([CH3:30])[O:28][C@H:24]2[C@H:23]([NH:31][C:40](=[O:41])[O:42][CH2:43][C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)[CH2:22]1
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참가 물질

8

반응물 4

HCID 313Hydrochloric AcidHCID 10387Benzyl chloroformateHCID 11430Potassium CarbonateHCID 86718845HCID 86718845, 화합물

생성물 1

HCID 12096654Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-2H,3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamate

시약·촉매·용매 3

HCID 962
Water
용매
HCID 7909Methyl Isobutyl Ketone용매
HCID 8857Ethyl Acetate용매

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온도
30 °C

실험 절차

To (3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-aminium (2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate (10.06 g, 22.32 mmol) was added 30 mL ethyl acetate. The resulting thick slurry was put on ice-bath and stirred for 80 min. HCl (1 M, 24.5 mL, 24.5 mmol) was slowly added during 25 min while the temperature was kept below 5° C. (pH aqueous phase: 1-2). The phases were separated and the organic phase was washed with 10 mL of water after which the aqueous phases were combined. Potassium carbonate (10.3 g, 73.78 mmol) was dissolved in 25 mL of water. MIBK (30 mL) and benzyl chloroformate (4.17 g, 23.22 mmol) were added at 20° C. The combined aqueous phases were added slowly over 15 min and the mixture was warmed at 30° C. for 25 min without stirring. The phases were separated and the organic phase washed with 10 mL water. The organic phase was evaporated until about 11 g was remaining. Water (40 mL) was added and evaporation was continued until about 25 g was remaining. The mixture was filtered and the isolated product was washed with iso-octane and then dried at 40° C. in vacuum oven overnight. After drying, the title product was isolated (6.54 g), HPLC-purity: 97.7% (area), 1H-NMR assay: 100%.

후처리

  1. customThe resulting thick slurry was put on ice-bath
  2. customwas kept below 5° C.
  3. customThe phases were separated
  4. washthe organic phase was washed with 10 mL of water after which the aqueous phases
  5. additionThe combined aqueous phases were added slowly over 15 min
  6. stirringwithout stirring
  7. customThe phases were separated
  8. washthe organic phase washed with 10 mL water
  9. customThe organic phase was evaporated until about 11 g
  10. additionWater (40 mL) was added
  11. customevaporation
  12. filtrationThe mixture was filtered
  13. washthe isolated product was washed with iso-octane
  14. customdried at 40° C. in vacuum oven overnight
  15. customAfter drying

출처 및 근거

ORD 기록
ord-3f335e97ae584013bab7f5d1da7bf8b7
출처 데이터셋
uspto-grants-2015_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09079873B2

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