5-Phenylvaleric acid, hexyl ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-Phenylvaleric acid, hexyl ester
• 英文别名: hexyl 5-phenylpentanoate
• 化学式: C₁₇H₂₆O₂
• 分子量: 262.4
• InChiKey: MDGSXKNIPGHYHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  19
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• ISOMER-SELECTIVE SYNTHESIS OF METHANOFULLERENES
  申请人：Nano-C, Inc.

  公开号：EP3219701A1

  公开（公告）日：2017-09-20

  [6,6]-Phenyl C71 butyric acid derivatives (C71-PCBR3) having a selectivity of greater than 95 wt% of the α-isomer are provided by reacting fullerene C70 with a dialkyl sulfonium tetrafluoroborate having the formula:

  富勒烯 C70 与四氟硼酸二烷基锍反应生成的 [6,6]- 苯基 C71 丁酸衍生物 (C71-PCBR3)，其 α-异构体的选择性大于 95 wt%：
• Isomer selective synthesis of methanofullerenes
  申请人：Nano-C, Inc.

  公开号：US10081591B2

  公开（公告）日：2018-09-25

  [6,6]-Phenyl C71 butyric acid derivatives (C70-PCBR3) having a selectivity of greater than 95 wt % of the α-isomer are provided by reacting fullerene C70 with a dialkyl sulfonium tetrafluoroborate having the formula:

  富勒烯 C70 与四氟硼酸二烷基锍反应生成的 [6,6]- 苯基 C71 丁酸衍生物 (C70-PCBR3)，其 α-异构体的选择性大于 95 wt %：
• [EN] FULLERENE MIXTURES FOR USE IN ORGANIC ELECTRONIC DEVICES<br/>[FR] MÉLANGES DE FULLERÈNES DESTINÉS À ÊTRE UTILISÉS DANS DES DISPOSITIFS ÉLECTRONIQUES ORGANIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO2016034261A1

  公开（公告）日：2016-03-10

  The invention relates to novel mixtures of substituted fullerenes, to their use in organic electronic (OE) devices, especially organic photovoltaic (OPV) devices and organic photodetectors (OPD), and to OE, OPV and OPD devices comprising these fullerene mixtures.
• [EN] SEMICONDUCTING MIXTURES<br/>[FR] MÉLANGES DE SEMI-CONDUCTEURS
  申请人：MERCK PATENT GMBH

  公开号：WO2016078744A1

  公开（公告）日：2016-05-26

  The invention relates to novel semiconducting mixtures comprising a conjugated polymer and a substituted fullerene, to their use in organic electronic (OE) devices, especially organic photovoltaic (OPV) devices and organic photodetectors (OPD), and to OE, OPV and OPD devices comprising these mixtures.