4,4'-(cyclopentylmethylene)bisphenol | 885129-76-0

• 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: 4,4'-(cyclopentylmethylene)bisphenol
• 英文别名: 4,4'-(cyclopentylmethylene)diphenol；4-[Cyclopentyl-(4-hydroxyphenyl)methyl]phenol
• CAS: 885129-76-0
• 化学式: C₁₈H₂₀O₂
• 分子量: 268.356
• InChiKey: AFMUOJOWUVGMSH-UHFFFAOYSA-N

物化性质

• 熔点：
  190-191.5 °C
• 沸点：
  441.2±25.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4'-(cyclopentylmethylene)bisphenol 在 1,1'-双(二苯基膦)二茂铁 、 palladium diacetate caesium carbonate 、 三乙胺 、 potassium iodide 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.41h， 生成 methyl 4-{cyclopentyl[4-(pyridin-2-ylmethoxy)phenyl]methyl}benzoate
  参考文献：
  名称：

  WO2008/156721

  摘要：

  公开号：
• 作为产物：
  描述：

  1-[Cyclopentyl-(4-methoxyphenyl)methyl]-4-methoxybenzene 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以92%的产率得到4,4'-(cyclopentylmethylene)bisphenol
  参考文献：
  名称：

  Estrogenic activity of bis(4-hydroxyphenyl)methanes with cyclic hydrophobic structure

  摘要：

  Monoalkylated bis(4-hydroxyphenyl)methanes (e.g., 1) are reported to show weak binding affinity for estrogen receptor (ER). We hypothesized that introduction of appropriately located hydrophobic substituents in these compounds would increase the binding affinity. Indeed, we found that bis(4-hydroxyphenyl)methane bearing a 3,3-dimethylcyclohexyl group (7) shows potent ER alpha binding affinity, comparable to that of estradiol. Bulkier substituents could be introduced at the 3,3-position without decreasing the affinity. However, the position of the substituents was critical: the 4,4-dimethylcyclohexyl derivative (2) showed very weak binding affinity. The compounds with high ER-binding affinity showed predominantly agonistic activity, together with weak antagonistic activity at high concentration, in cell proliferation assay with human breast cancer cell line MCF-7. Further structure-function studies of these compounds and their derivatives might lead to the development of more selective and potent estrogen receptor modulators. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.09.046

文献信息

• Diphenyl Substituted Alkanes as Flap Inhibitors
  申请人：Chu Lin

  公开号：US20070287736A1

  公开（公告）日：2007-12-13

  The instant invention provides compounds of formula I which are 5-lipoxygenase activating protein inhibitors. Compounds of formula I are useful as anti-atherosclerotic, anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotective agents.

  本发明提供了I式化合物，它们是5-脂氧合酶激活蛋白抑制剂。I式化合物可用作抗动脉粥样硬化、抗哮喘、抗过敏、抗炎和细胞保护剂。
• DIPHENYL SUBSTITUTED ALKANES
  申请人：Ogawa Anthony

  公开号：US20100190761A1

  公开（公告）日：2010-07-29

  The instant invention provides compounds of Formula I which are 5-lipoxygenase activating protein inhibitors: formula (I). Compounds of Formula I are useful as anti-atherosclerotic, anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotective agents.

  本发明提供了式I的化合物，该化合物是5-脂氧合酶激活蛋白抑制剂：式(I)。式I的化合物可用作抗动脉粥样硬化、抗哮喘、抗过敏、抗炎和细胞保护剂。
• Polyurethane polymer having bisphenol group and photoimageable composition containing the same
  申请人：Eternal Chemical Co., Ltd.

  公开号：EP1840146A1

  公开（公告）日：2007-10-03

  The present invention provides a polymer having the structure of formula (I) wherein n, R1, R2, R3, R4, R5, R6, a, b and c are as defined in the specification. The present invention also provides a negative-acting photoimageable composition comprising the above-mentioned polymer of formula (I), which is suitable for the fabrication of printed circuit boards.

  本发明提供了一种具有式 (I) 结构的聚合物 其中 n、R1、R2、R3、R4、R5、R6、a、b 和 c 如说明书中所定义。本发明还提供了一种包含上述式（I）聚合物的可负作用光成像组合物，该组合物适用于印刷电路板的制造。
• Diphenyl Substituted Alkanes
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2546232A1

  公开（公告）日：2013-01-16

  The instant invention provides compounds of Formula I which are 5-lipoxygenase activating protein inhibitors: Compounds of Formula I are useful as anti-atherosclerotic, anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotective agents.

  本发明提供的式 I 化合物是 5-脂氧合酶活化蛋白抑制剂： 式 I 化合物可用作抗动脉粥样硬化、抗哮喘、抗过敏、抗炎和细胞保护剂。
• [EN] DIPHENYL SUBSTITUTED ALKANES AS FLAP INHIIBITORS<br/>[FR] ALKANES SUBSTITUES PAR UN DIPHENYLE
  申请人：MERCK & CO INC

  公开号：WO2006044602A3

  公开（公告）日：2006-08-10