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5-chloro-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one → 5-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one

HRID 1014461
ノート
印刷プレビュー

反応式

HRID 1014461 の反応式
Cl[C:2]1[N:15]2[C:6](=[N:7][C:8]3[C:13]([C:14]2=[O:16])=[C:12]([F:17])[CH:11]=[CH:10][CH:9]=3)[C:5]2[CH:18]=[CH:19][N:20]([S:21]([C:24]3[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][CH:25]=3)(=[O:23])=[O:22])[C:4]=2[N:3]=1.[CH3:31][N:32]([CH2:34][C:35]([N:37]1[C:46]2[C:41](=[CH:42][C:43]([O:48][CH2:49][CH3:50])=[C:44]([NH2:47])[CH:45]=2)[CH2:40][CH2:39][CH2:38]1)=[O:36])[CH3:33]>O1CCCC1>[CH3:31][N:32]([CH3:33])[CH2:34][C:35]([N:37]1[C:46]2[C:41](=[CH:42][C:43]([O:48][CH2:49][CH3:50])=[C:44]([NH:47][C:2]3[N:15]4[C:6](=[N:7][C:8]5[C:13]([C:14]4=[O:16])=[C:12]([F:17])[CH:11]=[CH:10][CH:9]=5)[C:5]4[CH:18]=[CH:19][N:20]([S:21]([C:24]5[CH:25]=[CH:26][C:27]([CH3:30])=[CH:28][CH:29]=5)(=[O:23])=[O:22])[C:4]=4[N:3]=3)[CH:45]=2)[CH2:40][CH2:39][CH2:38]1)=[O:36]
参加物反応条件実験手順後処理出典と根拠反応ノート

参加物

4

反応物 2

HCID 594416275-chloro-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-oneHCID 594421011-[(Dimethylamino)acetyl]-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinamine

生成物 1

HCID 673170085-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2',3':4,5]pyrimido[6,1-b]quinazolin-7(3H)-one収率 69.8%

試薬・触媒・溶媒 1

HCID 8028
Tetrahydrofuran
溶媒

反応条件

温度
75 °C

実験手順

A suspension of 5-chloro-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2′,3′:4,5]pyrimido[6,1-b]quinazolin-7(3H)-one (550 mg, 1.147 mmol) and 1-[(dimethylamino)acetyl]-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinamine (318 mg, 1.147 mmol) in tetrahydrofuran (30 mL) was stirred at 75° C. in a pressure vessel for 16 hours. All volatiles were removed and the solids were partitioned between dichloromethane and saturated sodiuim bicarbonate. The organic layer was taken to a residue under reduced pressure and the derived solids were triturated with diethyl ether to afford 5-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2′,3′:4,5]pyrimido[6,1-b]quinazolin-7(3H)-one (548 mg, 0.801 mmol, 69.8%) as a yellow solid. A solution of 5-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-8-fluoro-3-[(4-methylphenyl)sulfonyl]pyrrolo[2′,3′:4,5]pyrimido[6,1-b]quinazolin-7(3H)-one (0.548 g, 0.801 mmol) in tetrahydrofuran (50 ml) was treated with methylamine in THF (2.0M) (3.21 ml, 6.41 mmol) and stirred for 16 hours. Celite was added, all volatiles were removed under reduced pressure, and the residue was purified via column chromatography to afford 2-({2-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-7-[(4-methylphenyl)sulfonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)-6-fluoro-N-methylbenzamide (310 mg) The tosylate was dissolved in 1,4-dioxane (8 ml)/2.0N NaOH (aq) (8 ml), added to a microwave vial, and warmed under microwave heating at 120° C. for 12 minutes. The reaction was cooled, diluted with ethyl acetate/saturated sodium chloride (aq), and the organic layer was dried over sodium sulfate, filtered, stripped onto celite, and purified by column chromatography to afford 2-[(2-{[1-(N,N-dimethylglycyl)-6-(ethyloxy)-1,2,3,4-tetrahydro-7-quinolinyl]amino}-1H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide (0.110 g, 0.196 mmol, 24.48%) as a white solid. 1H NMR (400 MHz, DMSO-d6) δ ppm 11.37 (s, 1H), 10.10 (s, 1H), 8.47-8.57 (m, 1H), 8.42 (s, 1H), 8.24 (d, J=6.82 Hz, 1H), 7.45 (s, 1H), 7.30-7.42 (m, 1H), 6.99 (d, J=3.01 Hz, 1H), 6.89-6.98 (m, 1H), 6.81 (s, 1H), 6.29 (dd, J=3.41, 1.81 Hz, 1H), 4.03-4.17 (m, 2H), 3.70 (t, J=6.72 Hz, 2H), 3.20 (s, 2H), 2.79 (d, J=4.41 Hz, 3H), 2.61-2.70 (m, 2H), 2.09 (t, J=9.43 Hz, 6H), 1.77-1.92 (m, 2H), 1.37 (t, J=6.82 Hz, 3H). ESIMS (M+H)+=561.

後処理

  1. customAll volatiles were removed
  2. customthe solids were partitioned between dichloromethane and saturated sodiuim bicarbonate
  3. customthe derived solids were triturated with diethyl ether

出典と根拠

ORDレコード
ord-1e57b62167144624aae1269963e1492b
出典データセット
uspto-grants-2011_07
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07981903B2

反応ノート

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