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p-Toluenesulfonic acid → HCID 86628116、化合物

HRID 2245251
ノート
印刷プレビュー

反応式

HRID 2245251 の反応式
[NH2:1][CH2:2][C@@H:3]1[C@@H:8]([C:9](OCC)=[O:10])[C@H:7]([C:14]2[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=2)[C@@H:6]([O:21][C@@H:22]([C:24]2[CH:29]=[C:28]([C:30]([F:33])([F:32])[F:31])[CH:27]=[C:26]([C:34]([F:37])([F:36])[F:35])[CH:25]=2)[CH3:23])[CH2:5][CH2:4]1.[C:38]1(=O)[CH2:42][CH2:41][C:40](=[O:43])[CH2:39]1.CC1C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[F:31][C:30]([F:32])([F:33])[C:28]1[CH:29]=[C:24]([C@H:22]([O:21][C@H:6]2[CH2:5][CH2:4][C@H:3]([CH2:2][NH:1][C:38]3[CH2:42][CH2:41][C:40](=[O:43])[CH:39]=3)[C@@H:8]([CH2:9][OH:10])[C@@H:7]2[C:14]2[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=2)[CH3:23])[CH:25]=[C:26]([C:34]([F:36])([F:37])[F:35])[CH:27]=1
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

5

反応物 3

HCID 6101p-Toluenesulfonic acidHCID 774661,3-CyclopentanedioneHCID 86628115Ethyl (1R,2R,3S,6S)-6-(aminomethyl)-3-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-2-(4-fluorophenyl)cyclohexanecarboxylate2 回

生成物 1

HCID 86628116HCID 86628116、化合物収率 10.7%

試薬・触媒・溶媒 1

HCID 1140
Toluene
溶媒

反応条件

温度
-78 °C

実験手順

To a solution of ethyl (1R,2R,3S,6S)-6-(aminomethyl)-3-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-2-(4-fluorophenyl)cyclohexanecarboxylate (0.07 g, 0.13 mmol, intermediate from Step E) in 30 mL dry toluene was added cyclopentane-1,3-dione (0.064 g, 0.65 mmol) and a catalytic amount (˜0.5 mg) of PTSA. The resulting mixture was heated at reflux for 1 hr. The solvent was removed under vacuum. The residue was dissolved in 10 mL toluene and was cooled to −78° C. under nitrogen. Dibal-H (2 mL, 1.0 M) was added. The reaction mixture was stirred for 16 hr at −78° C., quenched with water and diluted with ethyl acetate (10 mL). The organic layer was separated and the aqueous was extracted with ethyl acetate (10 mL). The combined extracts were washed with brine, dried over MgSO4, filtered and the solvent was removed under vacuum. The residue was purified by preparative TLC (silica gel eluting with 9:1 ethyl acetate: methanol) to give 8 mg of the title compound. MS: (MH)+ 574.2. The rest of the material was still unreacted ester.

後処理

  1. temperatureThe resulting mixture was heated
  2. temperatureat reflux for 1 hr
  3. customThe solvent was removed under vacuum
  4. dissolutionThe residue was dissolved in 10 mL toluene
  5. additionDibal-H (2 mL, 1.0 M) was added
  6. customquenched with water
  7. additiondiluted with ethyl acetate (10 mL)
  8. customThe organic layer was separated
  9. extractionthe aqueous was extracted with ethyl acetate (10 mL)
  10. washThe combined extracts were washed with brine
  11. dry with materialdried over MgSO4
  12. filtrationfiltered
  13. customthe solvent was removed under vacuum
  14. customThe residue was purified by preparative TLC (silica gel eluting with 9:1 ethyl acetate: methanol)

出典と根拠

ORDレコード
ord-54fb843ef75b45fab0065de46c56dac2
出典データセット
uspto-grants-2010_03
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07683068B2

反応ノート

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