1-[(1S,5S,7R)-1-(tert-Butyl-diphenyl-silanyloxymethyl)-7-(2-iodo-ethyl)-6-aza-spiro[4.5]dec-6-yl]-ethanone | 540733-92-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-[(1S,5S,7R)-1-(tert-Butyl-diphenyl-silanyloxymethyl)-7-(2-iodo-ethyl)-6-aza-spiro[4.5]dec-6-yl]-ethanone
• CAS: 540733-92-4
• 化学式: C₃₀H₄₂INO₂Si
• 分子量: 603.659
• InChiKey: JVLNMUIPJYUCQL-MQNCWCGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.33
• 重原子数：
  35.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-[(1S,5S,7R)-1-(tert-Butyl-diphenyl-silanyloxymethyl)-7-(2-iodo-ethyl)-6-aza-spiro[4.5]dec-6-yl]-ethanone 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 methyl (2'S,6S,9aR)-2'-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-oxospiro[2,3,7,8,9,9a-hexahydro-1H-quinolizine-6,1'-cyclopentane]-3-carboxylate
  参考文献：
  名称：

  Apoptosis-Inducing activity of synthetic intermediates of Halichlorine

  摘要：

  Synthetic intermediates of alkaloid halichlorine with the azaspiro core structure have been found to induce apoptosis of cultured human cells including an acute monocytic leukemia cell line (THP-I) at micromolar concentrations. The novel biological activity of the intermediates was suggested to depend on the skeletal structure and silyloxymethyl functionality on the five-membered ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00373-6
• 作为产物：
  描述：

  ethyl (2Z)-2-[(4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-azaspiro[4.5]decan-7-ylidene]acetate 在 platinum(IV) oxide 咪唑 、 lithium aluminium tetrahydride 、 三氟化硼乙醚 、 氢气 、 碘 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 乙醚 、 乙醇 、 二氯甲烷 、 苯 为溶剂， 生成 1-[(1S,5S,7R)-1-(tert-Butyl-diphenyl-silanyloxymethyl)-7-(2-iodo-ethyl)-6-aza-spiro[4.5]dec-6-yl]-ethanone
  参考文献：
  名称：

  Apoptosis-Inducing activity of synthetic intermediates of Halichlorine

  摘要：

  Synthetic intermediates of alkaloid halichlorine with the azaspiro core structure have been found to induce apoptosis of cultured human cells including an acute monocytic leukemia cell line (THP-I) at micromolar concentrations. The novel biological activity of the intermediates was suggested to depend on the skeletal structure and silyloxymethyl functionality on the five-membered ring. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00373-6