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Hydrochloric Acid → 2-[(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-amino]-N-(4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-nicotinamide

HRID 1815210
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HRID 1815210 반응식
C(OC([N:8]1[CH2:17][C:16]([CH3:19])([CH3:18])[C:15]2[C:10](=[CH:11][C:12]([NH:20][C:21]([C:23]3[C:24]([NH:29][CH2:30][C:31]4[CH:36]=[CH:35][N:34]=[C:33]5[NH:37][CH2:38][CH2:39][C:32]=45)=[N:25][CH:26]=[CH:27][CH:28]=3)=[O:22])=[CH:13][CH:14]=2)[CH2:9]1)=O)(C)(C)C.Cl.C([O-])(O)=O.[Na+]>O1CCOCC1>[NH:37]1[C:33]2=[N:34][CH:35]=[CH:36][C:31]([CH2:30][NH:29][C:24]3[N:25]=[CH:26][CH:27]=[CH:28][C:23]=3[C:21]([NH:20][C:12]3[CH:11]=[C:10]4[C:15]([C:16]([CH3:19])([CH3:18])[CH2:17][NH:8][CH2:9]4)=[CH:14][CH:13]=3)=[O:22])=[C:32]2[CH2:39][CH2:38]1
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참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 516892Sodium BicarbonateHCID 20773481tert-Butyl 7-[({2-[(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)amino]pyridin-3-yl}carbonyl)amino]-4,4-dimethyl-3,4-dihydroisoquinoline-2(1H)-carboxylate

생성물 1

HCID 103878712-[(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-amino]-N-(4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-nicotinamide

시약·촉매·용매 1

HCID 31275
1,4-Dioxane
용매

실험 절차

A mixture of 7-({2-[(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-amino]-pyridine-3-carbonyl}-amino)-4,4-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (0.070 g), HCl (4N, 3.0 mL) and dioxane (4.0 mL) was stirred at RT for overnight. Sat'd NaHCO3 was added until the bubbling stopped. The aqueous phase was extracted with CH2Cl2 3 times. The combined organic phases were dried over Na2SO4 and evaporated to yield a tan colored residue as a crude product, which was chromatographed through HPLC. The fractions were collected and the solvent was evaporated. The residue was treated with NaHCO3 and the solvent was evaporated. The residue was washed with H2O to remove any inorganics to afford 2-[(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-amino]-N-(4,4-dimethyl-1,2,3,4-tetrahydro-isoquinolin-7-yl)-nicotinamide. MS: (ES+) 429 (M+H). Calc'd. for C25H28N6O—428.54.

후처리

  1. extractionThe aqueous phase was extracted with CH2Cl2 3 times
  2. dry with materialThe combined organic phases were dried over Na2SO4
  3. customevaporated
  4. customto yield a tan colored residue as a crude product, which
  5. customwas chromatographed through HPLC
  6. customThe fractions were collected
  7. customthe solvent was evaporated
  8. additionThe residue was treated with NaHCO3
  9. customthe solvent was evaporated
  10. washThe residue was washed with H2O
  11. customto remove any inorganics

출처 및 근거

ORD 기록
ord-d5fe437074a74953a459652d6a65a222
출처 데이터셋
uspto-grants-2005_04
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06878714B2

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