tert-Butyl-(4-hexadecyl-4-methoxymethoxy-cyclopent-2-enyloxy)-dimethyl-silane | 698978-49-3

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: tert-Butyl-(4-hexadecyl-4-methoxymethoxy-cyclopent-2-enyloxy)-dimethyl-silane
• CAS: 698978-49-3
• 化学式: C₂₉H₅₈O₃Si
• 分子量: 482.863
• InChiKey: DNJOYXGRISRBBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.57
• 重原子数：
  33.0
• 可旋转键数：
  20.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-Butyl-(4-hexadecyl-4-methoxymethoxy-cyclopent-2-enyloxy)-dimethyl-silane 在 jones reagent 、 四丁基氟化铵 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 生成 (+/-)-4-hexadecyl-4-(methoxymethoxy)cyclopent-2-enone
  参考文献：
  名称：

  Structure–activity relationships of untenone A and its derivatives for inhibition of DNA polymerases

  摘要：

  We found that untenone A and mannzamenone A inhibit mammalian DNA polymerases alpha and beta, and human terminal deoxynucleotidyl transferase (TdT). The syntheses of both compounds and the structure-activity relationships of untenone A derivatives are described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.092
• 作为产物：
  描述：

  4-[(tert-butyldimethylsilyl)oxy]cyclopent-2-enone 在 samarium diiodide 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 六甲基磷酰三胺 、 1,2-二氯乙烷 为溶剂， 生成 tert-Butyl-(4-hexadecyl-4-methoxymethoxy-cyclopent-2-enyloxy)-dimethyl-silane
  参考文献：
  名称：

  Structure–activity relationships of untenone A and its derivatives for inhibition of DNA polymerases

  摘要：

  We found that untenone A and mannzamenone A inhibit mammalian DNA polymerases alpha and beta, and human terminal deoxynucleotidyl transferase (TdT). The syntheses of both compounds and the structure-activity relationships of untenone A derivatives are described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.092

文献信息

• Structure–activity relationships of untenone A and its derivatives for inhibition of DNA polymerases
  作者：Fumiyo Saito、Ryo Takeuchi、Tomoyuki Kamino、Kouji Kuramochi、Fumio Sugawara、Kengo Sakaguchi、Susumu Kobayashi

  DOI：10.1016/j.bmcl.2004.01.092

  日期：2004.4

  We found that untenone A and mannzamenone A inhibit mammalian DNA polymerases alpha and beta, and human terminal deoxynucleotidyl transferase (TdT). The syntheses of both compounds and the structure-activity relationships of untenone A derivatives are described. (C) 2004 Elsevier Ltd. All rights reserved.