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Hydrochloric Acid → N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]-2-thiophenecarboxamide

HRID 987852
ノート
印刷プレビュー

反応式

HRID 987852 の反応式
[C:1]([CH2:3][C:4]1[C:5]([CH3:34])=[C:6]([NH:12][C:13]([C:15]2[S:16][CH:17]=[CH:18][C:19]=2[S:20]([N:23]([C:27]2[O:31][N:30]=[C:29]([CH3:32])[C:28]=2[CH3:33])COC)(=[O:22])=[O:21])=[O:14])[C:7]([CH3:11])=[CH:8][C:9]=1[CH3:10])#[N:2].Cl>C1COCC1>[C:1]([CH2:3][C:4]1[C:5]([CH3:34])=[C:6]([NH:12][C:13]([C:15]2[S:16][CH:17]=[CH:18][C:19]=2[S:20](=[O:22])(=[O:21])[NH:23][C:27]2[O:31][N:30]=[C:29]([CH3:32])[C:28]=2[CH3:33])=[O:14])[C:7]([CH3:11])=[CH:8][C:9]=1[CH3:10])#[N:2]
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 313Hydrochloric AcidHCID 54326638N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[N-(3,4-dimethylisoxazol-5-yl)-N-methoxymethylaminosulfonyl]-2-thiophenecarboxamide

生成物 1

HCID 10623757N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]-2-thiophenecarboxamide

試薬・触媒・溶媒 1

HCID 8028Tetrahydrofuran溶媒

反応条件

温度
65 °C

実験手順

To a solution of N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[N-(3,4-dimethylisoxazol-5-yl)-N-methoxymethylaminosulfonyl]-2-thiophenecarboxamide (2.29 g, 4.56 mmol) in THF (10 mL) was added concentrated hydrochloric acid (5 mL). The reaction was heated at 65° C. for 2 hours, then allowed to cool to room temperature. The mixture was poured into ice water (100 mL), extracted with ethyl acetate (3×100 mL), washed with saturated sodium chloride (150 mL), dried (MgSO4), then concentrated. The residue was purified by reverse-phase HPLC (20-80% acetonitrile in water). Acetonitrile was removed in vacuo. The aqueous layer was extracted with ethyl acetate (3×100 mL). The extracts were combined and washed with saturated sodium chloride (200 mL), then with saturated sodium bicarbonate (3×200 mL). The organic layer was washed with saturated sodium chloride (200 mL), dried (MgSO4), then concentrated. The residue was purified by reverse-phase HPLC (20-80% acetonitrile in water). Acetonitrile was removed in vacuo. The aqueous layer was extracted with ethyl acetate (3×100 mL). The extracts were combined and washed with saturated sodium chloride (200 mL), then with saturated sodium bicarbonate (3×200 mL). The organic layer was washed with saturated sodium chloride (200 mL), dried (MgSO4), then concentrated. The residue was dissolved in water (300 mL) and lyophilized to give N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]-2-thiophenecarboxamide, Na-salt (0.45 g, 21%) as a white powder, mp 153-173° C. 1H NMR (400 MHZ, DMSO-d6) δ7.69 (d, J=4.76 Hz, 1H), 7.35 (d, J=5.16 Hz, 1H), 7.02 (s, 1H), 3.90 (s, 2H), 2.32 (s, 3H), 2.20 (s, 3H), 2.13 (s, 3H), 1.95 (s, 3H), 1.55 (s, 3H) ppm. IR (KBr) 3449, 2249, 1623, 1421, 1121 cm−1.

後処理

  1. temperatureto cool to room temperature
  2. extractionextracted with ethyl acetate (3×100 mL)
  3. washwashed with saturated sodium chloride (150 mL)
  4. dry with materialdried (MgSO4)
  5. concentrationconcentrated
  6. customThe residue was purified by reverse-phase HPLC (20-80% acetonitrile in water)
  7. customAcetonitrile was removed in vacuo
  8. extractionThe aqueous layer was extracted with ethyl acetate (3×100 mL)
  9. washwashed with saturated sodium chloride (200 mL)
  10. washThe organic layer was washed with saturated sodium chloride (200 mL)
  11. dry with materialdried (MgSO4)
  12. concentrationconcentrated
  13. customThe residue was purified by reverse-phase HPLC (20-80% acetonitrile in water)
  14. customAcetonitrile was removed in vacuo
  15. extractionThe aqueous layer was extracted with ethyl acetate (3×100 mL)
  16. washwashed with saturated sodium chloride (200 mL)
  17. washThe organic layer was washed with saturated sodium chloride (200 mL)
  18. dry with materialdried (MgSO4)
  19. concentrationconcentrated
  20. dissolutionThe residue was dissolved in water (300 mL)

出典と根拠

ORDレコード
ord-d2649943c7b847038b35073d6657010a
出典データセット
uspto-grants-2003_10
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06632829B2

反応ノート

読み込み中…

このページの内容参加物反応条件実験手順後処理出典と根拠反応ノート