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1,2-Dichloroethane → HCID 69740438、化合物

HRID 489662
ノート
印刷プレビュー

反応式

HRID 489662 の反応式
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][C@@H:10]([NH:30][C:31](OC(C)(C)C)=[O:32])[C:11]([N:13]2[CH2:18][CH2:17][CH:16]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=3[NH:25][S:26]([CH3:29])(=[O:28])=[O:27])[CH2:15][CH2:14]2)=[O:12])[CH:5]=[CH:6][C:7]=1[Cl:8].Cl.[N:39]1([C:52]([O:54][C:55]([CH3:58])([CH3:57])[CH3:56])=[O:53])[CH2:48][C:47]2[C:42](=[CH:43][CH:44]=[CH:45][CH:46]=2)[CH2:41][C@H:40]1C(O)=O.C1C=NC2N(O)N=NC=2C=1.C(Cl)CCl>CCOC(C)=O.CN(C=O)C>[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][C@@H:10]([NH:30][C:31]([C@@H:40]2[CH2:41][C:42]3[C:47](=[CH:46][CH:45]=[CH:44][CH:43]=3)[CH2:48][N:39]2[C:52]([O:54][C:55]([CH3:58])([CH3:57])[CH3:56])=[O:53])=[O:32])[C:11]([N:13]2[CH2:18][CH2:17][CH:16]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=3[NH:25][S:26]([CH3:29])(=[O:27])=[O:28])[CH2:15][CH2:14]2)=[O:12])[CH:5]=[CH:6][C:7]=1[Cl:8]
参加物実験手順後処理出典と根拠反応ノート

参加物

8

反応物 5

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 181649HOAtHCID 664088(3S)-2-((tert-butoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidHCID 23587430HCID 23587430、化合物

生成物 1

HCID 69740438HCID 69740438、化合物

試薬・触媒・溶媒 2

HCID 6228Dimethylformamide溶媒HCID 8857Ethyl Acetate溶媒2 回

実験手順

To a round-bottomed flask equipped with stirring was added N-[(1R)-1-[(3,4-dichlorophenyl)methyl]-2-(4-{2-[(methylsulfonyl)amino]phenyl}-piperidyl)-2-oxoethyl]-(tert-butoxy)carboxamide (Step a) (0.455 g, 0.8 mmol) and a saturated soln of anhydrous HCl in EtOAc (20 mL). The reaction mixture was stirred at RT for 1 h then concentrated in vacuo to provide a solid. The solid was dissolved in DMF (10 mL), stirred at 0° C. and treated with Boc-L-TicOH (Advanced ChemTech) (0.25 g, 0.9 mmol), HOAT (Aldrich) (0.122 g, 0.9 mmol), TEA (Aldrich) (0.188 mL, 1.35 mmol) then EDC (Advanced ChemTech) (0.26 g, 1.35 mmol). The reaction mixture was warmed to RT over 2 h, then stirred at RT for 12 h. The reaction mixture was diluted with EtOAc (70 mL), washed with satd NaHCO3, (50 mL), satd NaCl (50 mL), dried over Na2SO4, filtered and concentrated in vacuo. Purification by silica gel chromatography (1:1 EtOAc:hexane then 100% EtOAc) provided the title compound as a white foam (0.54 g). MS (ESI, pos. ion) m/z: 729 (M+1); MS (ESI, neg. ion) m/z: 727 (M−1). Calc'd for C36H42Cl2N4O6S: 728.22.

後処理

  1. customTo a round-bottomed flask equipped
  2. stirringThe reaction mixture was stirred at RT for 1 h
  3. concentrationthen concentrated in vacuo
  4. customto provide a solid
  5. stirringstirred at 0° C.
  6. stirringstirred at RT for 12 h
  7. washwashed with satd NaHCO3, (50 mL), satd NaCl (50 mL)
  8. dry with materialdried over Na2SO4
  9. filtrationfiltered
  10. concentrationconcentrated in vacuo
  11. customPurification by silica gel chromatography (1:1 EtOAc

出典と根拠

ORDレコード
ord-5219560d5b864069985600e271718659
出典データセット
uspto-grants-2005_12
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US06977264B2

反応ノート

読み込み中…

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