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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 72143
ノート
印刷プレビュー

反応式

HRID 72143 の反応式
[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]
参加物実験手順後処理出典と根拠反応ノート

参加物

9

反応物 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

生成物 1

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

試薬・触媒・溶媒 3

HCID 6344Dichloromethane溶媒3 回HCID 8857Ethyl Acetate溶媒HCID 57417360Sodium chloride; water溶媒

実験手順

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.

後処理

  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

出典と根拠

ORDレコード
ord-813cadfc25914d14a5d7b7922bea7bf7
出典データセット
uspto-grants-2014_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08828985B2

反応ノート

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