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Tin tetrachloride → 5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile

HRID 1505655
ノート
印刷プレビュー

反応式

HRID 1505655 の反応式
[C:1]([C:3]1[N:4](C(OC(C)(C)C)=O)[C:5]2[C:10]([CH:11]=1)=[CH:9][C:8]([CH2:12]Br)=[CH:7][CH:6]=2)#[N:2].[NH:21]1[CH2:26][CH2:25][CH:24]([NH:27][C:28]2[C:29]3[CH:36]=[C:35]([CH2:37][C:38]([F:41])([F:40])[F:39])[S:34][C:30]=3[N:31]=[CH:32][N:33]=2)[CH2:23][CH2:22]1.CCN(C(C)C)C(C)C.Cl[Sn](Cl)(Cl)Cl>C(Cl)Cl>[F:40][C:38]([F:39])([F:41])[CH2:37][C:35]1[S:34][C:30]2[N:31]=[CH:32][N:33]=[C:28]([NH:27][CH:24]3[CH2:23][CH2:22][N:21]([CH2:12][C:8]4[CH:9]=[C:10]5[C:5](=[CH:6][CH:7]=4)[NH:4][C:3]([C:1]#[N:2])=[CH:11]5)[CH2:26][CH2:25]3)[C:29]=2[CH:36]=1
参加物実験手順後処理出典と根拠反応ノート

参加物

6

反応物 4

HCID 24287Tin tetrachlorideHCID 81531DiisopropylethylamineHCID 90404208tert-butyl 5-(bromomethyl)-2-cyano-1H-indole-1-carboxylateHCID 90404759N-(piperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine

生成物 1

HCID 862970775-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
収率 68%

試薬・触媒・溶媒 1

HCID 6344Dichloromethane溶媒

実験手順

16.7 mg of tert-butyl 2-cyano-5-bromomethyl-1H-indole-1-carboxylate (0.05 mmol) and 15.8 mg of N-(piperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine (0.05 mmol) were dissolved in 0.6 mL of DCM. 12.9 mg of DIPEA (0.1 mmol) was added to that solution and reaction mixture was stirred for 18 hs. Then reaction mixture was directly loaded on silica gel column and the product was eluted with DCM-MeOH 30:1. After evaporation of solvent boc-protected intermediate was dissolved in 0.5 mL of ACN and 0.06 mL of SnCl4 (0.5 mmol) was added. The homogenous reaction mixture was stirred for 1 h and then all volatiles were removed in vacuo. The residue was quenched ammonia and extracted with ethyl acetate. Combined organic fractions were dried over MgSO4 and concentrated. The residue was purified on silica gel column using hexane-ethyl acetate-MeOH 1:1:0.1 to produce 16 mg of 5((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile (Compound 175). Its monohydrochloride salt was obtained by adding 1 equivalent of 1N HCl solution in diethyl ether to a solution of compound in ethanol. The hydrochloride salt was recrystallized from methanol. 1H NMR (600 MHz, DMSO-d6): δ 12.62 (s, 1H), 10.74 (br, 1H), 8.33 (s, 1H), 8.07 (d, 1H, J=7 Hz), 7.93, s, 1H), 7.70 (s, 1H), 7.62 (d, 1H, J=12 Hz), 7.56 (d, 1H, J=12 Hz), 7.45 (s, 1H), 4.36 (s, 1H), 4.30 (m, 1H), 4.03 (q, 2H, J=11 Hz), 3.41 (m, 2H), 3.11 (m, 2H), 2.12 (m, 2H), 1.98 (m, 2H).

後処理

  1. customThen reaction mixture
  2. washthe product was eluted with DCM-MeOH 30:1
  3. customAfter evaporation of solvent boc-
  4. dissolutionwas dissolved in 0.5 mL of ACN
  5. stirringThe homogenous reaction mixture was stirred for 1 h
  6. customall volatiles were removed in vacuo
  7. customThe residue was quenched ammonia
  8. extractionextracted with ethyl acetate
  9. dry with materialCombined organic fractions were dried over MgSO4
  10. concentrationconcentrated
  11. customThe residue was purified on silica gel column

出典と根拠

ORDレコード
ord-f2a99b018a4044c385a4c2b7f3d0b899
出典データセット
uspto-grants-2015_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US09216993B2

反応ノート

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このページの内容参加物実験手順後処理出典と根拠反応ノート