Ethyl 2-[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-pent-4-enoylamino]acetyl]amino]ethyl-pent-4-enoylamino]acetate | 1413927-63-5

• 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 2-[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-pent-4-enoylamino]acetyl]amino]ethyl-pent-4-enoylamino]acetate
• 英文别名: ethyl 2-[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-pent-4-enoylamino]acetyl]amino]ethyl-pent-4-enoylamino]acetate
• CAS: 1413927-63-5
• 化学式: C₂₅H₄₂N₄O₇
• 分子量: 510.631
• InChiKey: VFCKHWWUFLYKEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  36
• 可旋转键数：
  20
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ethyl 2-[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-pent-4-enoylamino]acetyl]amino]ethyl-pent-4-enoylamino]acetate 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 48.0h， 生成 Ethyl 2-[7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5,8,15-trioxo-1,4,7-triazacyclopentadec-1-yl]acetate
  参考文献：
  名称：

  Convenient synthesis and cyclization of dimeric abasic PNA

  摘要：

  The synthesis of an abasic PNA-based dimer block has been achieved. An alkyl chain stapling the two base sites conformationally restricts the PNA backbone, and serves as an example of preorganization by direct base site linkage. Other possible examples of this strategy, such as enforced stacking of adjacent intrastrand bases to give base pair step analogs, are put forward. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.10.032
• 作为产物：
  描述：

  N-[2-(叔丁氧羰基氨基)乙基]甘氨酸乙酯盐酸盐 在 盐酸 、 palladium 10% on activated carbon 、 水 、 氢气 、 caesium carbonate 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 、 甲苯 为溶剂， 20.0 ℃ 、275.8 kPa 条件下， 反应 5.5h， 生成 Ethyl 2-[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-pent-4-enoylamino]acetyl]amino]ethyl-pent-4-enoylamino]acetate
  参考文献：
  名称：

  Convenient synthesis and cyclization of dimeric abasic PNA

  摘要：

  The synthesis of an abasic PNA-based dimer block has been achieved. An alkyl chain stapling the two base sites conformationally restricts the PNA backbone, and serves as an example of preorganization by direct base site linkage. Other possible examples of this strategy, such as enforced stacking of adjacent intrastrand bases to give base pair step analogs, are put forward. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.10.032

文献信息

• Convenient synthesis and cyclization of dimeric abasic PNA
  作者：Daniel C. Cooper、J. William Suggs

  DOI：10.1016/j.tetlet.2012.10.032

  日期：2012.12

  The synthesis of an abasic PNA-based dimer block has been achieved. An alkyl chain stapling the two base sites conformationally restricts the PNA backbone, and serves as an example of preorganization by direct base site linkage. Other possible examples of this strategy, such as enforced stacking of adjacent intrastrand bases to give base pair step analogs, are put forward. (C) 2012 Elsevier Ltd. All rights reserved.