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Triethylamine → HCID 9933503、化合物

HRID 2268048
ノート
印刷プレビュー

反応式

HRID 2268048 の反応式
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]
参加物実験手順後処理出典と根拠反応ノート

参加物

7

反応物 5

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

生成物 1

HCID 9933503HCID 9933503、化合物収率 90%

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

実験手順

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.

後処理

  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

出典と根拠

ORDレコード
ord-63599060820340d7bbf587b87853d25b
出典データセット
uspto-grants-2001_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06326379B1

反応ノート

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