di(prop-2-yn-1-yl) 2,2-dimethylmalonate | 1413920-86-1

• 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: di(prop-2-yn-1-yl) 2,2-dimethylmalonate
• 英文别名: Bis(prop-2-ynyl) 2,2-dimethylpropanedioate；bis(prop-2-ynyl) 2,2-dimethylpropanedioate
• CAS: 1413920-86-1
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: QGJUYSOWGWIIPZ-UHFFFAOYSA-N

物化性质

• 沸点：
  277.6±20.0 °C(Predicted)
• 密度：
  1.127±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-dimethylpropane-1,3-diyl bis(2-azidoacetate) 、 di(prop-2-yn-1-yl) 2,2-dimethylmalonate 在 copper(ll) sulfate pentahydrate 、 sodium L-ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 10.0h， 以76%的产率得到5,5,17,17-Tetramethyl-3,7,15,19-tetraoxa-10,11,12,22,23,24-hexazatricyclo[20.2.1.19,12]hexacosa-1(25),9(26),10,23-tetraene-4,6,14,20-tetrone
  参考文献：
  名称：

  A dual-responsive macrocycle based on glycyrrhetinic acid

  摘要：

  A glycyrrhetinic acid-based macrocycle was synthesized using CuAAC 'click chemistry' and it showed remarkable selectivity and affinity for F- ions, as well as He ions. During the dual-responsive recognition process, 1,2,3-triazole ring, carbonyl group, and glycyrrhetinic acid rigid skeleton play the significant roles in the ion binding. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.118
• 作为产物：
  描述：

  3-溴丙炔 、 二甲基丙二酸 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以80%的产率得到di(prop-2-yn-1-yl) 2,2-dimethylmalonate
  参考文献：
  名称：

  A dual-responsive macrocycle based on glycyrrhetinic acid

  摘要：

  A glycyrrhetinic acid-based macrocycle was synthesized using CuAAC 'click chemistry' and it showed remarkable selectivity and affinity for F- ions, as well as He ions. During the dual-responsive recognition process, 1,2,3-triazole ring, carbonyl group, and glycyrrhetinic acid rigid skeleton play the significant roles in the ion binding. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.118

文献信息

• A dual-responsive macrocycle based on glycyrrhetinic acid
  作者：Jun Hu、Jindan Wu、Jinrong Lu、Yong Ju

  DOI：10.1016/j.tetlet.2012.09.118

  日期：2012.12

  A glycyrrhetinic acid-based macrocycle was synthesized using CuAAC 'click chemistry' and it showed remarkable selectivity and affinity for F- ions, as well as He ions. During the dual-responsive recognition process, 1,2,3-triazole ring, carbonyl group, and glycyrrhetinic acid rigid skeleton play the significant roles in the ion binding. (C) 2012 Elsevier Ltd. All rights reserved.