(1R,2S,3S,4R,5S,6S,7R,8R,11S,12S,13R,14R,15S,16R,17R,18S)-20,31-dimethoxy-3,6,13,16-tetrakis(methoxymethyl)dodecacyclo[16.14.1.14,15.18,11.02,17.03,16.05,14.06,13.07,12.019,32.021,30.023,28]pentatriaconta-9,19,21,23,25,27,29,31-octaene

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: (1R,2S,3S,4R,5S,6S,7R,8R,11S,12S,13R,14R,15S,16R,17R,18S)-20,31-dimethoxy-3,6,13,16-tetrakis(methoxymethyl)dodecacyclo[16.14.1.14,15.18,11.02,17.03,16.05,14.06,13.07,12.019,32.021,30.023,28]pentatriaconta-9,19,21,23,25,27,29,31-octaene
• 化学式: C₄₅H₅₂O₆
• 分子量: 688.904
• InChiKey: HGALLCWTYYEYCA-RGGKSBBMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  51
• 可旋转键数：
  10
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  丁炔二酸二甲酯 、 (1R,2S,3S,4R,5S,6S,7R,8R,11S,12S,13R,14R,15S,16R,17R,18S)-20,31-dimethoxy-3,6,13,16-tetrakis(methoxymethyl)dodecacyclo[16.14.1.14,15.18,11.02,17.03,16.05,14.06,13.07,12.019,32.021,30.023,28]pentatriaconta-9,19,21,23,25,27,29,31-octaene 在 RuH₂(CO)(PPh₃)₃ 作用下， 以 苯 为溶剂， 以68%的产率得到dimethyl (1R,2S,3S,4R,5S,6S,7R,8S,9S,12R,13R,14S,15R,16R,17S,18R,19R,20S)-22,33-dimethoxy-3,6,15,18-tetrakis(methoxymethyl)tridecacyclo[18.14.1.14,17.18,13.02,19.03,18.05,16.06,15.07,14.09,12.021,34.023,32.025,30]heptatriaconta-10,21,23,25,27,29,31,33-octaene-10,11-dicarboxylate
  参考文献：
  名称：

  Syntheses of Rigid and Semirigid Molecules for Investigations of Photoinduced Electron Transfer Reactions

  摘要：

  Investigations of electron transfer reactions in donor-spacer-acceptor (DSA) molecules posessing small numbers of reactive conformations have significantly increased understanding of factors that control transfer rate constants. The syntheses of polynorbornane-based DSA molecules 12, 16, 20, 26, 30, and 34 and heptacyclotetradecane-based DSA molecules 40, 47, 51, and 60 are described. These molecules have been used to explore the effects of electronic symmetry, solvent electronic structure, and temperature on photoinduced electron transfer reactions.

  DOI：

  10.1021/jo00118a023
• 作为产物：
  描述：

  [(1R,2S,3S,4R,5S,6S,7R,8R,11S,12S,13R,14R,15S,16R,17R,18S)-13-(hydroxymethyl)-20,31-dimethoxy-3,16-bis(methoxymethyl)-6-dodecacyclo[16.14.1.14,15.18,11.02,17.03,16.05,14.06,13.07,12.019,32.021,30.023,28]pentatriaconta-9,19,21,23,25,27,29,31-octaenyl]methanol 、 碘甲烷 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以99.3%的产率得到(1R,2S,3S,4R,5S,6S,7R,8R,11S,12S,13R,14R,15S,16R,17R,18S)-20,31-dimethoxy-3,6,13,16-tetrakis(methoxymethyl)dodecacyclo[16.14.1.14,15.18,11.02,17.03,16.05,14.06,13.07,12.019,32.021,30.023,28]pentatriaconta-9,19,21,23,25,27,29,31-octaene
  参考文献：
  名称：

  Syntheses of Rigid and Semirigid Molecules for Investigations of Photoinduced Electron Transfer Reactions

  摘要：

  Investigations of electron transfer reactions in donor-spacer-acceptor (DSA) molecules posessing small numbers of reactive conformations have significantly increased understanding of factors that control transfer rate constants. The syntheses of polynorbornane-based DSA molecules 12, 16, 20, 26, 30, and 34 and heptacyclotetradecane-based DSA molecules 40, 47, 51, and 60 are described. These molecules have been used to explore the effects of electronic symmetry, solvent electronic structure, and temperature on photoinduced electron transfer reactions.

  DOI：

  10.1021/jo00118a023

文献信息

• Syntheses of Rigid and Semirigid Molecules for Investigations of Photoinduced Electron Transfer Reactions
  作者：Krishna Kumar、Ronald J. Tepper、Yang Zeng、Matthew B. Zimmt

  DOI：10.1021/jo00118a023

  日期：1995.6

  Investigations of electron transfer reactions in donor-spacer-acceptor (DSA) molecules posessing small numbers of reactive conformations have significantly increased understanding of factors that control transfer rate constants. The syntheses of polynorbornane-based DSA molecules 12, 16, 20, 26, 30, and 34 and heptacyclotetradecane-based DSA molecules 40, 47, 51, and 60 are described. These molecules have been used to explore the effects of electronic symmetry, solvent electronic structure, and temperature on photoinduced electron transfer reactions.