(S_C)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole 5-oxide | 386768-41-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (S_C)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole 5-oxide
• 英文别名: (S)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole 5-oxide；(4-undec-10-enoxyphenyl) 5-ethyl-3-[(2S)-2-methylbutoxy]-5-oxobenzo[b]phosphindole-7-carboxylate
• CAS: 386768-41-8
• 化学式: C₃₇H₄₇O₅P
• 分子量: 602.751
• InChiKey: COKOFGVAOZDESW-QYFRPGJJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.1
• 重原子数：
  43
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S_C)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole 5-oxide 在 三氯硅烷 、 三乙胺 作用下， 以 甲苯 为溶剂， 生成 (R_P,S_C)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole
  参考文献：
  名称：

  Asymmetric dibenzophospholes: new phosphorus-based chiral liquid crystals

  摘要：

  (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.

  DOI：

  10.1016/s0040-4039(01)01661-6
• 作为产物：
  描述：

  S-(-)-2-甲基-1-丁醇 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 calcium hydroxide 、 palladium diacetate 、 potassium carbonate 、 N,N'-二环己基碳二亚胺 、 三苯基膦 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 33.0h， 生成 (S_C)-5-ethyl-3-(2-methylbutoxy)-7-(4-undec-10-enoxyphenoxycarbonyl)-5H-dibenzophosphole 5-oxide
  参考文献：
  名称：

  Synthesis of Asymmetric Dibenzophosphole 5-Oxides: The First Dibenzophosphole-based Family of Compounds with Liquid Crystalline Behaviour

  摘要：

  DOI：

  10.3987/com-02-9437

文献信息

• Duran, Ernesto; Velasco, Dolores; Lopez-Calahorra, Francisco, Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 2002, vol. 381, p. 43 - 57
  作者：Duran, Ernesto、Velasco, Dolores、Lopez-Calahorra, Francisco、Finkelmann, Heino

  DOI：——

  日期：——
• Enantiomeric resolution and determination of the absolute configuration of dibenzophosphole 5-oxides
  作者：Ernesto Durán、Esther Gordo、Jaume Granell、Mercè Font-Bardı́a、Xavier Solans、Dolores Velasco、Francisco López-Calahorra

  DOI：10.1016/s0957-4166(01)00339-1

  日期：2001.8

  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.
• 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.
• Synthesis of Asymmetric Dibenzophosphole 5-Oxides: The First Dibenzophosphole-based Family of Compounds with Liquid Crystalline Behaviour
  作者：Francisco López-Calahorra、Ernesto Durán、Dolores Velasco

  DOI：10.3987/com-02-9437

  日期：——