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Formaldehyde → (3aR,6aR)-1-(4-Bromophenyl)-5-methyloctahydropyrrolo[3,4-b]pyrrole

HRID 12970
ノート
印刷プレビュー

反応式

HRID 12970 の反応式
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:12][CH2:11][C@@H:10]3[CH2:13][N:14]([C:16](OC(C)(C)C)=O)[CH2:15][C@H:9]23)=[CH:4][CH:3]=1.C(O)(C(F)(F)F)=O.C=O.[BH3-]C#N.[Na+]>C(Cl)Cl>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[CH2:12][CH2:11][C@@H:10]3[CH2:13][N:14]([CH3:16])[CH2:15][C@H:9]23)=[CH:6][CH:7]=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 712FormaldehydeHCID 6422Trifluoroacetic acidHCID 5003444Sodium cyanoborohydrideHCID 59339923tert-Butyl(3aR,6aR)-1-(4-bromophenyl)hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate

生成物 1

HCID 44221503(3aR,6aR)-1-(4-Bromophenyl)-5-methyloctahydropyrrolo[3,4-b]pyrrole

試薬・触媒・溶媒 1

HCID 6344
Dichloromethane
溶媒

実験手順

To a solution of (3aR,6aR)tert-butyl 1-(4-bromophenyl)hexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxylate (1.86 g, 5.1 mmol) in CH2Cl2 (50 mL) at 23° C. was added TFA (8 mL) and the mixture was allowed to stir for 2 hrs. The solvents were removed under vacuum and the residue was taken up in MeOH (50 mL) followed by the addition of formaldehyde (37%, 3 mL, 40 mmol) and NaBH3CN (950 mg, 15.1 mmol). The mixture was stirred at 23° C. for 10 hours, concentrated under reduced pressure and the residue was dissolved in CH2Cl2 (100 mL), washed sequentially with water (2×50 mL), brine (1×30 mL), and dried over Na2SO4, filtered and concentrated under reduced pressure. The crude product mixture was purified via chromatography (SiO2, 0-10% MeOH in CH2Cl2) to provide the title compound. 1H NMR (300 MHz, CDCl3): δ=7.28 ppm (m, 2H), 6.44 (m, 2H), 4.05 (m, 1H), 3.45 (m, 1H), 3.19 (m, 1H), 2.94 (m, 1H), 2.67 (m, 1H), 2.52 (m, 3H), 2.30 (s, 3H), 2.16 (m, 1H), 1.95 (m, 1H). MS (ESI, M+1): 280.8.

後処理

  1. customThe solvents were removed under vacuum
  2. stirringThe mixture was stirred at 23° C. for 10 hours
  3. concentrationconcentrated under reduced pressure
  4. dissolutionthe residue was dissolved in CH2Cl2 (100 mL)
  5. washwashed sequentially with water (2×50 mL), brine (1×30 mL)
  6. dry with materialdried over Na2SO4
  7. filtrationfiltered
  8. concentrationconcentrated under reduced pressure
  9. customThe crude product mixture was purified via chromatography (SiO2, 0-10% MeOH in CH2Cl2)

出典と根拠

ORDレコード
ord-af0a87f14a2a4b51b30e4f209a5f0889
出典データセット
uspto-grants-2010_06
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US07728031B2

反応ノート

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