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Triethylamine → HCID 9933503, 화합물

HRID 2268048
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HRID 2268048 반응식
C(N(CC)CC)C.[Cl:8][C:9]1[CH:10]=[C:11]([CH2:17][NH:18][C:19]2[C:24]([C:25](O)=[O:26])=[CH:23][N:22]=[C:21]3[N:28]([CH2:31][CH3:32])[N:29]=[CH:30][C:20]=23)[CH:12]=[CH:13][C:14]=1[O:15][CH3:16].Cl.CN(C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1.[NH2:55][CH2:56][C:57]1[CH:62]=[CH:61][N:60]=[CH:59][CH:58]=1>C1COCC1>[Cl:8][C:9]1[CH:10]=[C:11]([CH2:17][NH:18][C:19]2[C:24]([C:25]([NH:55][CH2:56][C:57]3[CH:62]=[CH:61][N:60]=[CH:59][CH:58]=3)=[O:26])=[CH:23][N:22]=[C:21]3[N:28]([CH2:31][CH3:32])[N:29]=[CH:30][C:20]=23)[CH:12]=[CH:13][C:14]=1[O:15][CH3:16]
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 5

HCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 773174-PyridinemethanamineHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideHCID 10338602HCID 10338602, 화합물

생성물 1

HCID 9933503HCID 9933503, 화합물수율 90%

시약·촉매·용매 1

HCID 8028Tetrahydrofuran용매

실험 절차

Using the procedure of method 1A, triethylamine (4.0 ml, 28.0 mmol) was added to a mixture of 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (2.0 g, 5.6 mmol), 1-[3-(dimethylamino)propyl]-3-ethylcarbodiimide hydrochloride (EDAC.HCl, 1.6 g, 8.4 mmol), and 1-hydroxybenzotriazole (1.1 g, 8.4 mmol) in anhydrous THF (50 ml). The resulting solution was stirred at rt for 10 min. To the resulting reaction solution was then added 4-aminomethylpyridine (0.72 g, 6.7 mmol) and this solution was stirred at rt for 24 h. The resulting reaction solution was concentrated via evaporation under reduced pressure, and the residual solid was resuspended in EtOAc (250 mL). This EtOAc suspension was washed with H2O (200 ml), NaOH (0.1 N, 2×200 ml), potassium phosphate buffer (50 mM, pH 7, 2×200 ml) and H2O (200 mL). The organic layer was then dried over anhydrous Na2SO4 and concentrated via evaporation under reduced pressure until a solid began to precipitate. This mixture was allowed to stand at rt, and the precipitated solid was collected and washed thoroughly with Et2O and once with 50% Et2O-EtOAc to afford a white solid (2.2 g, 90%): mp: 209-210.5 C; LRMS (m/z) 450; 13C NMR (CDCl3): δ 171.8, 156.4, 153.7, 153.1, 151.7, 150.8, 150.5, 135.7, 132.0, 130.5, 128.3, 124.5, 124.3, 114.2, 105.6, 104.4, 57.4, 49.8, 43.7, 43.6, 15.9. Anal. Calc'd for C23H23C1N6O2: C, 61.26; H, 5.14; N, 18.64; Cl, 7.86. Found: C, 61.03; H, 5.22; N, 18.66; Cl, 8.02.

후처리

  1. customTo the resulting reaction solution
  2. customThe resulting reaction solution
  3. concentrationwas concentrated via evaporation under reduced pressure
  4. washThis EtOAc suspension was washed with H2O (200 ml), NaOH (0.1 N, 2×200 ml), potassium phosphate buffer (50 mM, pH 7, 2×200 ml) and H2O (200 mL)
  5. dry with materialThe organic layer was then dried over anhydrous Na2SO4
  6. concentrationconcentrated via evaporation under reduced pressure until a solid
  7. customto precipitate
  8. customto stand at rt
  9. customthe precipitated solid was collected
  10. washwashed thoroughly with Et2O and once with 50% Et2O-EtOAc

출처 및 근거

ORD 기록
ord-63599060820340d7bbf587b87853d25b
출처 데이터셋
uspto-grants-2001_12
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US06326379B1

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