1-ethyl 3-prop-2-ynyl 2-acetamido-2-allylmalonate | 1309655-91-1

• 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: 1-ethyl 3-prop-2-ynyl 2-acetamido-2-allylmalonate
• 英文别名: 1-O-ethyl 3-O-prop-2-ynyl 2-acetamido-2-prop-2-enylpropanedioate
• CAS: 1309655-91-1
• 化学式: C₁₃H₁₇NO₅
• 分子量: 267.282
• InChiKey: MYZPHMURCRBVSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,5-已二烯 、 1-ethyl 3-prop-2-ynyl 2-acetamido-2-allylmalonate 在 二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌 作用下， 以 二氯甲烷 为溶剂， 反应 144.0h， 以86%的产率得到
  参考文献：
  名称：

  Synthesis of a new fluorescent macrocyclic α-amino acid derivative via tandem cross-enyne/ring-closing metathesis cascade catalyzed by ruthenium based catalysts

  摘要：

  A simple methodology to a unique macrocyclic alpha-amino acid (AAA) derivative involving three step synthetic sequence has been reported. In addition, various ruthenium based catalysts were studied to enhance the selectivity of the desired macrocyclic AAA derivative 6. The fluorescence behavior of these AAA derivatives 5 and 6 indicate their potential applications in biological sciences as biomarkers, ion sensors and peptidomimetics. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.02.019
• 作为产物：
  描述：

  2-acetamido-3-ethoxy-3-oxopropanoic acid 在 caesium carbonate 、 对甲苯磺酸 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 11.0h， 生成 1-ethyl 3-prop-2-ynyl 2-acetamido-2-allylmalonate
  参考文献：
  名称：

  Synthesis of a new fluorescent macrocyclic α-amino acid derivative via tandem cross-enyne/ring-closing metathesis cascade catalyzed by ruthenium based catalysts

  摘要：

  A simple methodology to a unique macrocyclic alpha-amino acid (AAA) derivative involving three step synthetic sequence has been reported. In addition, various ruthenium based catalysts were studied to enhance the selectivity of the desired macrocyclic AAA derivative 6. The fluorescence behavior of these AAA derivatives 5 and 6 indicate their potential applications in biological sciences as biomarkers, ion sensors and peptidomimetics. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.02.019