(3R,4S,4aR,9aS)-3-Hydroxymethyl-6,6,8,8-tetraisopropyl-4-methyl-tetrahydro-2,5,7,9-tetraoxa-6,8-disila-benzocyclohepten-1-one | 212767-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: (3R,4S,4aR,9aS)-3-Hydroxymethyl-6,6,8,8-tetraisopropyl-4-methyl-tetrahydro-2,5,7,9-tetraoxa-6,8-disila-benzocyclohepten-1-one
• CAS: 212767-83-4
• 化学式: C₁₉H₃₈O₆Si₂
• 分子量: 418.678
• InChiKey: DPRKVGLQZIZMLG-FJIDUMEYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.87
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  74.22
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (3R,4S,4aR,9aS)-3-Hydroxymethyl-6,6,8,8-tetraisopropyl-4-methyl-tetrahydro-2,5,7,9-tetraoxa-6,8-disila-benzocyclohepten-1-one 在 swern reagent 作用下， 以70%的产率得到(3R,4S,4aR,9aS)-6,6,8,8-Tetraisopropyl-4-methyl-1-oxo-tetrahydro-2,5,7,9-tetraoxa-6,8-disila-benzocycloheptene-3-carbaldehyde
  参考文献：
  名称：

  Synthesis and biological activity of lactones en route to Altohyrtin A

  摘要：

  Lactones 2 and 7 were synthesised and tested against six human tumour cell lines (Pancrens-a, BXPC-3), (Thyroid ca, KAT-4), (Thyroid ca, SW1736), (Lung-NSC, NCI-H460), (Pharynx-sq, FADU) and (Prostate, DU-145). Lactone 7 proved inactive, but lactone 2 displayed some activity against four of the six cell lines examined. Both lactones were converted into an intermediate 5 en route to Altohyrtin A. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00268-6
• 作为产物：
  描述：

  (3S,4R,5R,6R)-6-Benzyloxymethyl-3,4-dihydroxy-5-methyl-tetrahydro-pyran-2-one 在 palladium on activated charcoal 咪唑 、 氢气 作用下， 以 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 (3R,4S,4aR,9aS)-3-Hydroxymethyl-6,6,8,8-tetraisopropyl-4-methyl-tetrahydro-2,5,7,9-tetraoxa-6,8-disila-benzocyclohepten-1-one
  参考文献：
  名称：

  Synthesis and biological activity of lactones en route to Altohyrtin A

  摘要：

  Lactones 2 and 7 were synthesised and tested against six human tumour cell lines (Pancrens-a, BXPC-3), (Thyroid ca, KAT-4), (Thyroid ca, SW1736), (Lung-NSC, NCI-H460), (Pharynx-sq, FADU) and (Prostate, DU-145). Lactone 7 proved inactive, but lactone 2 displayed some activity against four of the six cell lines examined. Both lactones were converted into an intermediate 5 en route to Altohyrtin A. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00268-6