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Acetic Acid → HCID 15840423, 화합물

HRID 2289301
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HRID 2289301 반응식
Cl.[NH:2]1[CH2:7][CH2:6][CH:5]([O:8][C:9]2[CH:14]=[CH:13][C:12]([CH2:15][C:16]([N:18]3[CH2:23][CH2:22][CH:21]([N:24]4[C:29]5[CH:30]=[CH:31][CH:32]=[CH:33][C:28]=5[CH2:27][O:26][C:25]4=[O:34])[CH2:20][CH2:19]3)=[O:17])=[C:11]([O:35][CH2:36][C:37]([F:40])([F:39])[F:38])[CH:10]=2)[CH2:4][CH2:3]1.C([O-])(=O)C.[Na+].C(O)(=O)C.[CH:50]1([CH:53]=O)[CH2:52][CH2:51]1.[BH3-]C#N.[Na+]>CO.Cl>[CH:50]1([CH2:53][N:2]2[CH2:3][CH2:4][CH:5]([O:8][C:9]3[CH:14]=[CH:13][C:12]([CH2:15][C:16]([N:18]4[CH2:23][CH2:22][CH:21]([N:24]5[C:29]6[CH:30]=[CH:31][CH:32]=[CH:33][C:28]=6[CH2:27][O:26][C:25]5=[O:34])[CH2:20][CH2:19]4)=[O:17])=[C:11]([O:35][CH2:36][C:37]([F:40])([F:38])[F:39])[CH:10]=3)[CH2:6][CH2:7]2)[CH2:52][CH2:51]1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 176Acetic AcidHCID 123114CyclopropanecarboxaldehydeHCID 517045Sodium AcetateHCID 5003444Sodium cyanoborohydrideHCID 18700152HCID 18700152, 화합물

생성물 1

HCID 15840423HCID 15840423, 화합물

시약·촉매·용매 2

HCID 313
Hydrochloric Acid
용매
HCID 887Methanol용매2회

실험 절차

To a solution of 1-(1-(4-(4-piperidinyloxy)-2-(2,2,2-trifluoroethoxy)phenylacetyl)piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one hydrochloride (0.30 g, 0.5 mmol) from Example 2 in MeOH (7.5 mL) was added sodium acetate (82 mg, 1.0 mmol), acetic acid (0.10 mL, 1.7 mmol), and cyclopropane carboxaldehyde (75 mg, 1.1 mmol). The mixture was stirred at ambient temperature for 30 min and NaBH3CN (61 mg, 1.0 mmol) was added. The solution was stirred for 18 h and the solvent was removed under reduced pressure. The residue was dissolved in EtOAc (50 mL) and washed with saturated aqueous NaHCO3 (3×25 mL). The organic phase was dried (MgSO4), filtered, and the solvent was removed under reduced pressure. The residue was purified by pressurized silica gel column chromatography using 97:3:0.3 CH2Cl2 :MeOH:NH4OH as eluant. The free base was dissolved in MeOH containing 1.5 equivalents of 3 N aqueous HCl. The resulting solution was evaporated under reduced pressure and the residue was lyophilized from CH3CN:H2O to give the hydrochloride salt of the title compound as an amorphous solid.

후처리

  1. stirringThe solution was stirred for 18 h
  2. customthe solvent was removed under reduced pressure
  3. dissolutionThe residue was dissolved in EtOAc (50 mL)
  4. washwashed with saturated aqueous NaHCO3 (3×25 mL)
  5. dry with materialThe organic phase was dried (MgSO4)
  6. filtrationfiltered
  7. customthe solvent was removed under reduced pressure
  8. customThe residue was purified by pressurized silica gel column chromatography
  9. customThe resulting solution was evaporated under reduced pressure

출처 및 근거

ORD 기록
ord-6a1304beb7c4478a9080b34ecaece56c
출처 데이터셋
uspto-grants-2000_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06090805

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