ethyl t-(2,7)-diazido-t-8a-decahydronaphthalene-r-4a-carboxylate | 1266351-57-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl t-(2,7)-diazido-t-8a-decahydronaphthalene-r-4a-carboxylate
• CAS: 1266351-57-8
• 化学式: C₁₃H₂₀N₆O₂
• 分子量: 292.341
• InChiKey: JADWEQKVKAZSTO-MCQWHVOASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  123.82
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  ethyl t-(2,7)-diazido-t-8a-decahydronaphthalene-r-4a-carboxylate 在 溶剂黄146 、 N,N-二异丙基乙胺 、 三氟乙酸 、 锌 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 33.0h， 生成 ethyl t-(2,7)-bis(3-phenylureido)-t-8a-decahydronaphthalene-r-4a-carboxylate
  参考文献：
  名称：

  Diaxial Diureido Decalins as Compact, Efficient, and Tunable Anion Transporters

  摘要：

  Decalins bearing two axial -NHCONHAr substituents and an ester-linked alkyl side chain have been synthesized and studied as anion receptors and transporters. The design relates to steroid-based "cholapods" but is more compact and less intrinsically lipophilic. Transport rates depend on both NHAr and the alkyl side chain. High activities can be achieved; with optimal substitution, chloride-nitrate exchange across vesicle membranes is measurable at transporter/lipid ratios as low as 1:250000.

  DOI：

  10.1021/ja1076102
• 作为产物：
  描述：

  ethyl c-(2,7)-dihydroxy-t-8a-decahydronaphthalene-r-4a-carboxylate 在 sodium azide 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.42h， 生成 ethyl t-(2,7)-diazido-t-8a-decahydronaphthalene-r-4a-carboxylate
  参考文献：
  名称：

  Diaxial Diureido Decalins as Compact, Efficient, and Tunable Anion Transporters

  摘要：

  Decalins bearing two axial -NHCONHAr substituents and an ester-linked alkyl side chain have been synthesized and studied as anion receptors and transporters. The design relates to steroid-based "cholapods" but is more compact and less intrinsically lipophilic. Transport rates depend on both NHAr and the alkyl side chain. High activities can be achieved; with optimal substitution, chloride-nitrate exchange across vesicle membranes is measurable at transporter/lipid ratios as low as 1:250000.

  DOI：

  10.1021/ja1076102