2-Methylpropyl isocyanate → 4-[4-(7-Amino-2-benzo[d]isothiazol-7-yl-furo[2,3-c]pyridin-4-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid isobutyl-amide

HRID 389571

反応式

HRID 389571 の反応式
[S:1]1[C:5]2[C:6]([C:10]3[O:30][C:13]4=[C:14]([NH2:29])[N:15]=[CH:16][C:17]([C:18]5[CH:19]=[N:20][N:21]([CH:23]6[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]6)[CH:22]=5)=[C:12]4[CH:11]=3)=[CH:7][CH:8]=[CH:9][C:4]=2[CH:3]=[N:2]1.C(N(C(C)C)CC)(C)C.[CH2:40]([N:44]=[C:45]=[O:46])[CH:41]([CH3:43])[CH3:42]>CN(C=O)C>[CH2:40]([NH:44][C:45]([N:26]1[CH2:25][CH2:24][CH:23]([N:21]2[CH:22]=[C:18]([C:17]3[CH:16]=[N:15][C:14]([NH2:29])=[C:13]4[O:30][C:10]([C:6]5[C:5]6[S:1][N:2]=[CH:3][C:4]=6[CH:9]=[CH:8][CH:7]=5)=[CH:11][C:12]=34)[CH:19]=[N:20]2)[CH2:28][CH2:27]1)=[O:46])[CH:41]([CH3:43])[CH3:42]

参加物

5

反応物 3

HCID 612812-Methylpropyl isocyanateHCID 81531DiisopropylethylamineHCID 667599142-benzo[d]isothiazol-7-yl-4-(1-piperidin-4-yl-1H-pyrazol-4-yl)-furo[2,3-c]pyridin-7-ylamine

生成物 1

HCID 667596174-[4-(7-Amino-2-benzo[d]isothiazol-7-yl-furo[2,3-c]pyridin-4-yl)-pyrazol-1-yl]-piperidine-1-carboxylic acid isobutyl-amide

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

To a solution of 2-benzo[d]isothiazol-7-yl-4-(1-piperidin-4-yl-1H-pyrazol-4-yl)-furo[2,3-c]pyridin-7-ylamine (20.8 mg, 0.05 mmol) in DMF (0.5 mL) was added diisopropylethylamine (0.05 mL, 6.5 mmol) and isobutyl isocyanate (0.06 mmol). The resulting solution stirred at room temperature overnight. The mixture was concentrated and then purified by MDP to afford the title compound as an off-white solid. 1H NMR (400 MHz, CD3OD): δ 9.51 (s, 1H), 9.12 (d, J=1.5 Hz, 1H), 8.84 (d, J=7.3 Hz, 1H), 8.72 (d, J=7.3 Hz, 1H), 8.35 (s, 1H), 8.07 (s, 1H), 7.92 (s, 1H), 7.88 (s, 1H), 4.53 (m, 1H), 3.03 (m, 4H), 2.18 (m, 2H), 2.06 (m, 4H), 1.83 (m, 1H), 1.76 (d, J=5.8 Hz, 6H); MS (ESI): MS (ESI): 516.64 [M+H]+; HPLC tR=0.86 min (HPLC: Analytical—2 min).

後処理

  1. concentrationThe mixture was concentrated
  2. custompurified by MDP

出典と根拠

ORDレコード
ord-6c1130ec905043dd9500c966d7d8dade
出典データセット
uspto-grants-2013_02
特許番号
US08378104B2

関連ノート

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