(2E,9bR)-6-acetyl-2-[1-[[(1R,2R)-2-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]cyclohexyl]amino]ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione | 1109190-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2E,9bR)-6-acetyl-2-[1-[[(1R,2R)-2-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]cyclohexyl]amino]ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
• CAS: 1109190-32-0
• 化学式: C₄₂H₄₂N₂O₁₂
• 分子量: 766.802
• InChiKey: PTPTWEYOFAQNDP-ZKDIOTCXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  56
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  226
• 氢给体数：
  6
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  2,4,7-三硝基芴酮 、 (2E,9bR)-6-acetyl-2-[1-[[(1R,2R)-2-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]cyclohexyl]amino]ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Novel Chiral Molecular Tweezer from (+)-Usnic Acid

  摘要：

  A new chiral molecular tweezer was synthesized with (1R,2R)-1,2-diaminocyclohexane as spacer and two molecules of (+)-usnic acid as pincers. The ability of this molecular tweezer to bind 2,4,7-trinitrofluorenone was studied. A charge-transfer complex was formed in which TNF was sandwiched between the two usnic acid units with pi-pi-stacked aromatic interactions.

  DOI：

  10.1021/ol802842m
• 作为产物：
  描述：

  松萝酸 、 (1R,2R)-1,2-diaminocyclohexane 以 四氢呋喃 、 乙醇 为溶剂， 反应 4.0h， 生成 (2E,9bR)-6-acetyl-2-[1-[[(1R,2R)-2-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]cyclohexyl]amino]ethylidene]-7,9-dihydroxy-8,9b-dimethyldibenzofuran-1,3-dione
  参考文献：
  名称：

  Novel Chiral Molecular Tweezer from (+)-Usnic Acid

  摘要：

  A new chiral molecular tweezer was synthesized with (1R,2R)-1,2-diaminocyclohexane as spacer and two molecules of (+)-usnic acid as pincers. The ability of this molecular tweezer to bind 2,4,7-trinitrofluorenone was studied. A charge-transfer complex was formed in which TNF was sandwiched between the two usnic acid units with pi-pi-stacked aromatic interactions.

  DOI：

  10.1021/ol802842m

文献信息

• Novel Chiral Molecular Tweezer from (+)-Usnic Acid
  作者：Béatrice Legouin、Philippe Uriac、Sophie Tomasi、Loïc Toupet、Arnaud Bondon、Pierre van de Weghe

  DOI：10.1021/ol802842m

  日期：2009.2.5

  A new chiral molecular tweezer was synthesized with (1R,2R)-1,2-diaminocyclohexane as spacer and two molecules of (+)-usnic acid as pincers. The ability of this molecular tweezer to bind 2,4,7-trinitrofluorenone was studied. A charge-transfer complex was formed in which TNF was sandwiched between the two usnic acid units with pi-pi-stacked aromatic interactions.