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Ethanethiol → Benzyl 6-benzyl-3-ethylthio-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

HRID 67939
ノート
印刷プレビュー

反応式

HRID 67939 の反応式
[CH2:1]([CH:8]1[C:14](=[O:15])[N:13]2[CH:9]1[CH2:10][CH:11]=[C:12]2[C:16]([O:18][CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[O:17])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:26]([SH:28])[CH3:27].C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH2:1]([CH:8]1[C:14](=[O:15])[N:13]2[CH:9]1[CH2:10][CH:11]([S:28][CH2:26][CH3:27])[CH:12]2[C:16]([O:18][CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[O:17])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
参加物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 6343EthanethiolHCID 11430Potassium CarbonateHCID 14328938HCID 14328938、化合物

生成物 1

HCID 20526358Benzyl 6-benzyl-3-ethylthio-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

試薬・触媒・溶媒 1

HCID 6228Dimethylformamide溶媒

実験手順

Benzyl 6-benzyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate (138) (0.420 g) was dissolved in dry dimethylformamide (5 ml) and treated with ethanethiol (0.12 ml) and potassium carbonate (0.087 g). It was stirred at ambient temperature for 1 hour and the solvent was then distilled off under high vacuum. The residue was partitioned between ethyl acetate and brine, and the ethyl acetate solution was dried over sodium sulphate and concentrated. The residue was carefully chromatographed on a column of silica gel 60 (<230 mesh) eluting with ethyl acetate/60°-80° petroleum ether 3:7 to give three diastereoisomers of benzyl 6-benzyl-3-ethylthio-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate as gums. The first compound in increasing order of polarity was the 2α, 3α-isomer (139) (0.054 g); νmax (CHCl3) 2950, 1765 and 1745 sh; τ(CDCl3) 2.6-2.9 (10H, m, phenyls), 4.86(2H, s, OCH2), 5.59(1H, d J 5 Hz, C2-H), 6.1-6.5(2H, m, C3-H and C5-H), 6.6-7.2(3H, m, C6-H, C8-H2), 7.50(2H, q J7 Hz, SCH2), 7.55 (1H, dt J14 and 7 Hz, C4-H), 8.41(1H, dt J14 and 7 Hz, C4-H) and 8.84(3H, t J7 Hz, CH3); (M+ at m/e 395.1554. C23H25NO3S requires 395.1553). Next was the 2α, 3β-isomer (98 ) (0.260 g); νmax (CHCl3) 2960, 1765 and 1750 sh cm-1 ; τ(CDCl3) 2.6-2.9 (10H m, phenyls), 4.87 (2H, s, OCH2), 5.26(1H, d, J7 Hz, C2-H), 6.10(1H, td, J51/2& 21/2 Hz, C5-H), 6.52(1H, td J9 and 7 Hz, C3-H), 6.7-7.2(3H, m, C6-H, C8-H2), 7.47(2H, q, J7 Hz, SCH2), 7.89 (2H, dd J9 and 51/2 Hz, C4-H2) and 8.85(3H, t J7 Hz, CH3); (M+ at m/e 395.1553. C23H25NO3S requires 395.1553). Lastly was obtained the 2β, 3α-isomer (140) (0.112 g); νmax (CHCl3) 2960, 1770 and 1745 cm-1 ; τ(CDCl3) 2.6-2.9(10H, m, phenyls), 4.82(2H, s, OCH2), 5.94(1H, d J8 Hz, C2-H), 6.2-7.2(5H, m, C3-H, C5-H, C6-H and C8-H2), 7.51(2H, d J7 Hz, SCH2), 7.83(1H, dt J12 and 6 Hz, C4-H), 8.10(1H, td J12 and 9 Hz, C4-H) and 8.86(3H, t J7 Hz, CH3); (M+ at m/e 394.1560. C23H25NO3S requires 395.1553).

後処理

  1. distillationthe solvent was then distilled off under high vacuum
  2. customThe residue was partitioned between ethyl acetate and brine
  3. dry with materialthe ethyl acetate solution was dried over sodium sulphate
  4. concentrationconcentrated
  5. customThe residue was carefully chromatographed on a column of silica gel 60 (<230 mesh)
  6. washeluting with ethyl acetate/60°-80° petroleum ether 3:7

出典と根拠

ORDレコード
ord-18f30b7ca0e648a9bbe735f0db003122
出典データセット
uspto-grants-1982_08
DOI
10.6084/m9.figshare.5104873.v1
特許番号
US04347181

反応ノート

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