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Pyridine → tert-butyl 3-((R)-3-(5-cyanopyridin-2-ylamino)pyrrolidine-1-carboxamido)-8-azabicyclo[3.2.1]octane-8-carboxylate

HRID 1948714
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HRID 1948714 반응식
[NH2:1][CH:2]1[CH2:8][CH:7]2[N:9]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH:4]([CH2:5][CH2:6]2)[CH2:3]1.[C:17]([O-:20])(O)=O.[Na+].ClC(Cl)(OC(=O)OC(Cl)(Cl)Cl)Cl.Cl.Cl.[NH:36]1[CH2:40][CH2:39][C@@H:38]([NH:41][C:42]2[CH:49]=[CH:48][C:45]([C:46]#[N:47])=[CH:44]C=2)[CH2:37]1.[N:50]1C=CC=CC=1>C(Cl)Cl.[Cl-].[Na+].O.CCOC(C)=O>[C:46]([C:45]1[CH:48]=[CH:49][C:42]([NH:41][C@@H:38]2[CH2:39][CH2:40][N:36]([C:17]([NH:1][CH:2]3[CH2:3][CH:4]4[N:9]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH:7]([CH2:6][CH2:5]4)[CH2:8]3)=[O:20])[CH2:37]2)=[N:50][CH:44]=1)#[N:47]
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참가 물질

9

반응물 5

HCID 1049PyridineHCID 94429TriphosgeneHCID 516892Sodium BicarbonateHCID 22570519tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylateHCID 66883622(R)-4-(pyrrolidin-3-ylamino)benzonitrile dihydrochloride

생성물 1

HCID 66882921
tert-butyl 3-((R)-3-(5-cyanopyridin-2-ylamino)pyrrolidine-1-carboxamido)-8-azabicyclo[3.2.1]octane-8-carboxylate
수율 18%

시약·촉매·용매 3

HCID 6344Dichloromethane용매3회HCID 8857Ethyl Acetate용매HCID 57417360Sodium chloride; water용매

실험 절차

To a stirred, ice-cold mixture of tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate (149 mg, 0.66 mmol), CH2Cl2 (4 mL) and satd aq NaHCO3 (2 mL) was added solid triphosgene (65 mg, 0.22 mmol). The mixture was stirred in the ice bath for 30 min and diluted with CH2Cl2 (6 mL) and brine (8 mL). The organic layer was separated and added to a stirred solution of (R)-4-(pyrrolidin-3-ylamino)benzonitrile dihydrochloride (165 mg, 0.66 mmol) in CH2Cl2 (2 mL) and dry pyridine (0.5 mL). The mixture was stirred overnight at rt, diluted with EtOAc (90 mL), washed with 5% aq HCl (20 mL), satd aq NaHCO3 (20 mL) and brine (20 mL), and dried over Na2SO4. Removal of the solvent left an oil (246 mg) which was purified by prep HPLC to afford tert-butyl 3-((R)-3-(5-cyanopyridin-2-ylamino)pyrrolidine-1-carboxamido)-8-azabicyclo[3.2.1]octane-8-carboxylate (49 mg, 18%). LC-MS Method 1 tR=1.52 min, m/z=441, 385.

후처리

  1. customThe organic layer was separated
  2. washwashed with 5% aq HCl (20 mL)
  3. dry with materialdried over Na2SO4
  4. customRemoval of the solvent
  5. waitleft an oil (246 mg) which
  6. customwas purified by prep HPLC

출처 및 근거

ORD 기록
ord-12664ae2fcf4443e8d35f259f679f381
출처 데이터셋
uspto-grants-2013_03
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08399504B2

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