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Dicyclohexylcarbodiimide → HCID 58556953, 화합물

HRID 1044037
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HRID 1044037 반응식
C1CCC(N=C=NC2CCCCC2)CC1.C1C=CC2N(O)N=NC=2C=1.Cl.[F:27][C:28]1[CH:33]=[CH:32][C:31]([N:34]([CH3:45])[CH:35]([C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)[C:36]([OH:38])=[O:37])=[CH:30][CH:29]=1.[N:46]12[CH2:53][CH2:52][CH:49]([CH2:50][CH2:51]1)[C@@H:48](O)[CH2:47]2>C1COCC1>[F:27][C:28]1[CH:33]=[CH:32][C:31]([N:34]([CH3:45])[CH:35]([C:39]2[CH:40]=[CH:41][CH:42]=[CH:43][CH:44]=2)[C:36]([O:38][C@@H:48]2[CH:49]3[CH2:52][CH2:53][N:46]([CH2:51][CH2:50]3)[CH2:47]2)=[O:37])=[CH:30][CH:29]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

6

반응물 4

HCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 914043-Quinuclidinol, (-)-HCID 67124664[(4-Fluoro-phenyl)-methyl-amino]-phenyl-acetic acid hydrochloride

생성물 1

HCID 58556953HCID 58556953, 화합물수율 84%

시약·촉매·용매 1

HCID 8028
Tetrahydrofuran
용매

실험 절차

PS-DCC (1.02 g, 1.35 mmol, loading: 1.33 mmol/g) was suspended in dry THF (13.5 ml). HOBT (0.21 g, 1.35 mmol), 2-((4-fluorophenyl)(methyl)amino)-2-phenylacetic acid hydrochloride (I6) (0.20 g, 0.68 mmol), and (R)-quinuclidin-3-ol (0.26 g, 2.03 mmol) were added. The mixture was shaken at RT overnight. PS-DCC was removed by filtration, washed with EtOAc and THF. The solution was evaporated, and the residue was partitioned between EtOAc and water. The organic phase was washed with saturated NaHCO3, dried with Na2SO4, and evaporated. The crude was purified by flash chromatography (DCM/MeOH=95/5) to afford the title compound (209 mg, 84% yield, mixture of diastereomers).

후처리

  1. customPS-DCC was removed by filtration
  2. washwashed with EtOAc and THF
  3. customThe solution was evaporated
  4. customthe residue was partitioned between EtOAc and water
  5. washThe organic phase was washed with saturated NaHCO3
  6. dry with materialdried with Na2SO4
  7. customevaporated
  8. customThe crude was purified by flash chromatography (DCM/MeOH=95/5)

출처 및 근거

ORD 기록
ord-2568447594d04a50b843b1576513bf89
출처 데이터셋
uspto-grants-2013_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08563577B2

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