(R_P,S_C)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole | 383197-71-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (R_P,S_C)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole
• CAS: 383197-71-5；386768-45-2；386768-46-3
• 化学式: C₃₇H₄₇O₄P
• 分子量: 586.752
• InChiKey: YOTNWFRHBUJBPP-VCDCVWTQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.33
• 重原子数：
  42.0
• 可旋转键数：
  18.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (R_P,S_C)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole 在 双氧水 作用下， 以 苯 为溶剂， 反应 2.0h， 以142 mg的产率得到(S_C,S_P)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole 5-oxide
  参考文献：
  名称：

  Enantiomeric resolution and determination of the absolute configuration of dibenzophosphole 5-oxides

  摘要：

  The resolution of asymmetrically substituted dibenzophospholes via chromatographic separation of their cyclopalladium derivatives is described for the first time. The absolute configuration of the phosphorus atom was determined by X-ray crystallographic analysis in one case. A general NMR criterion for the complete determination of the configuration of this group of products is proposed. The enantiomeric excess of the resolved compounds was determined by NMR Eu(III) chemical displacement experiments and by HPLC using a chiral stationary phase. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00339-1
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 1,2-双(二苯基膦)乙烷 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 (R_P,S_C)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole
  参考文献：
  名称：

  Enantiomeric resolution and determination of the absolute configuration of dibenzophosphole 5-oxides

  摘要：

  The resolution of asymmetrically substituted dibenzophospholes via chromatographic separation of their cyclopalladium derivatives is described for the first time. The absolute configuration of the phosphorus atom was determined by X-ray crystallographic analysis in one case. A general NMR criterion for the complete determination of the configuration of this group of products is proposed. The enantiomeric excess of the resolved compounds was determined by NMR Eu(III) chemical displacement experiments and by HPLC using a chiral stationary phase. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00339-1

文献信息

• Asymmetric dibenzophospholes: new phosphorus-based chiral liquid crystals
  作者：Ernesto Durán、Esther Gordo、Jaume Granell、Dolores Velasco、Francisco López-Calahorra

  DOI：10.1016/s0040-4039(01)01661-6

  日期：2001.10

  (S-p,S-c)-5-Ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole 5-oxide, the first example in the literature of a new asymmetrically substituted dibenzophosphole-based group of systems with liquid-crystal properties is described. (C) 2001 Elsevier Science Ltd. All rights reserved.