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Chlorotrimethylsilane → 3-Cyano-4-[2-(tetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

HRID 46248
ノート
印刷プレビュー

反応式

HRID 46248 の反応式
[Cl-].[Li+].BrC(Br)C.Cl[Si](C)(C)C.I[CH:13]1[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1.[C:19]([C:21]1[CH:22]=[C:23]([S:39]([N:42](CC2C=CC(OC)=CC=2OC)[C:43]2[S:47][N:46]=[CH:45][N:44]=2)(=[O:41])=[O:40])[CH:24]=[CH:25][C:26]=1[O:27][C:28]1[CH:33]=[CH:32][C:31]([C:34]([F:37])([F:36])[F:35])=[CH:30][C:29]=1I)#[N:20].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.[Cl-].[NH4+]>O1CCCC1.[Zn].C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[C:19]([C:21]1[CH:22]=[C:23]([S:39]([NH:42][C:43]2[S:47][N:46]=[CH:45][N:44]=2)(=[O:41])=[O:40])[CH:24]=[CH:25][C:26]=1[O:27][C:28]1[CH:33]=[CH:32][C:31]([C:34]([F:36])([F:35])[F:37])=[CH:30][C:29]=1[CH:13]1[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1)#[N:20]
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

11

反応物 7

HCID 6397ChlorotrimethylsilaneHCID 112011,1-DibromoethaneHCID 25517Ammonium ChlorideHCID 433294Lithium ChlorideHCID 27955064-iodotetrahydro-2H-pyranHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
HCID 59436485
3-cyano-N-(2,4-dimethoxybenzyl)-4-[2-iodo-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

生成物 1

HCID 468410833-Cyano-4-[2-(tetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

試薬・触媒・溶媒 3

HCID 23994Zinc触媒HCID 167845palladium(II) acetate触媒HCID 8028Tetrahydrofuran溶媒2 回

反応条件

温度
70 °C

実験手順

To a suspension of zinc dust (458 mg, 7.00 mmol) and lithium chloride (212 mg, 5.00 mmol) in tetrahydrofuran was added dibromoethane (0.043 mL, 0.50 mmol) under nitrogen. The mixture was heated at 70° C. for 10 minutes before cooling and adding chlorotrimethlsilane (0.013 mL, 0.10 mmol). The reaction mixture was stirred for 1 hour then 4-iodotetrahydro-2H-pyran (1060 mg, 5.00 mmol) was added and stirring continued for 18 hours. This mixture was added to a pre-stirred (10 minutes) suspension of 3-cyano-N-(2,4-dimethoxybenzyl)-4-[2-iodo-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide (Preparation 429, 11 mg, 0.3 mmol), palladium(II) acetate (6.7 mg, 0.03 mmol) and dicyclohexyl(2′,6′-dimethoxybiphenyl-2-yl)phosphine (24.6 mg, 0.06 mmol) in tetrahydrofuran (0.5 mL). The reaction mixture was stirred at room temperature for 2 hours before pouring into saturated aqueous ammonium chloride solution (10 mL). The aqueous layer was extracted with ethyl acetate (3×10 mL). The combined organic layers were dried over magnesium sulfate and concentrated in vacuo to obtain a residue that was purified using an ISCO™ system eluting with heptane:ethyl acetate (1:0 to 4:6, by volume). The residue was dissolved in dichloromethane (3 mL) and trifluoroacetic acid (3 mL) was added. After stirring for 1 hour at room temperature, methanol (20 mL) was added and the resulting precipitate was filtered and the filtrate concentrated in vacuo. The crude material was purified using preparative HPLC to afford the title compound.

後処理

  1. temperaturebefore cooling
  2. stirringstirring
  3. waitcontinued for 18 hours
  4. additionThis mixture was added to
  5. stirringa pre-stirred
  6. stirringThe reaction mixture was stirred at room temperature for 2 hours
  7. extractionThe aqueous layer was extracted with ethyl acetate (3×10 mL)
  8. dry with materialThe combined organic layers were dried over magnesium sulfate
  9. concentrationconcentrated in vacuo
  10. customto obtain a residue that
  11. customwas purified
  12. washeluting with heptane:ethyl acetate (1:0 to 4:6, by volume)
  13. dissolutionThe residue was dissolved in dichloromethane (3 mL)
  14. additiontrifluoroacetic acid (3 mL) was added
  15. stirringAfter stirring for 1 hour at room temperature
  16. additionmethanol (20 mL) was added
  17. filtrationthe resulting precipitate was filtered
  18. concentrationthe filtrate concentrated in vacuo
  19. customThe crude material was purified

出典と根拠

ORDレコード
ord-3dddf41ee66e46e0b40e156d76ce4b97
出典データセット
uspto-grants-2013_09
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US08541588B2

反応ノート

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