(1'R,2'S,5'R)-8-oxo-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid 2-(1-methyl-1-naphthalen-2-yl-ethyl)-5-methyl-cyclohexyl ester | 1223634-51-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (1'R,2'S,5'R)-8-oxo-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid 2-(1-methyl-1-naphthalen-2-yl-ethyl)-5-methyl-cyclohexyl ester
• CAS: 1223634-51-2
• 化学式: C₃₁H₃₄O₃
• 分子量: 454.609
• InChiKey: COIMUQJBCZWIPI-VXLYDYDQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (1'R,2'S,5'R)-8-oxo-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid 2-(1-methyl-1-naphthalen-2-yl-ethyl)-5-methyl-cyclohexyl ester 在 hydrazine hydrate 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以100%的产率得到(1'R,2'S,5'R)-8-hydrazono-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid 2-(1-methyl-1-naphthalen-2-yl-ethyl)-5-methyl-cyclohexyl ester
  参考文献：
  名称：

  Diastereoselective, Synergistic Dual-Mode Optical Switch with Integrated Chirochromic Helicene and Photochromic Bis-azobenzene Moieties

  摘要：

  An unprecedented dual-mode optical switch by combining helicene and bis-azobenzene moieties in proximity allows for cooperative, highly diastereoselective chirochromic (92/8 to 3/97) and photochromic (>99/0 to 19/81) switchings both in solution and in nematic LC with tunable pitches and handedness by permutation of four different metastable states.

  DOI：

  10.1021/ol100117s
• 作为产物：
  描述：

  8-氧代-5,6,7,8-四氢萘-2-羧酸 、 (1R,2S,5R)-8-(β-naphthyl)menthol 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 以73%的产率得到(1'R,2'S,5'R)-8-oxo-5,6,7,8-tetrahydro-naphthalene-2-carboxylic acid 2-(1-methyl-1-naphthalen-2-yl-ethyl)-5-methyl-cyclohexyl ester
  参考文献：
  名称：

  Diastereoselective, Synergistic Dual-Mode Optical Switch with Integrated Chirochromic Helicene and Photochromic Bis-azobenzene Moieties

  摘要：

  An unprecedented dual-mode optical switch by combining helicene and bis-azobenzene moieties in proximity allows for cooperative, highly diastereoselective chirochromic (92/8 to 3/97) and photochromic (>99/0 to 19/81) switchings both in solution and in nematic LC with tunable pitches and handedness by permutation of four different metastable states.

  DOI：

  10.1021/ol100117s