4-[(3-methoxyphenyl)phenanthren-9-ylmethyl]phenol | 796874-05-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 4-[(3-methoxyphenyl)phenanthren-9-ylmethyl]phenol
• CAS: 796874-05-0
• 化学式: C₂₈H₂₂O₂
• 分子量: 390.481
• InChiKey: RIQKGDYEFLOYJF-UHFFFAOYSA-N

物化性质

• 熔点：
  70 °C
• 沸点：
  593.2±38.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.89
• 重原子数：
  30.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(2-氯乙基)哌啶盐酸盐 、 4-[(3-methoxyphenyl)phenanthren-9-ylmethyl]phenol 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 7.0h， 以70%的产率得到1-(2-{4-[(3-methoxyphenyl)phenanthren-9-ylmethyl]phenoxy}ethyl)piperidine
  参考文献：
  名称：

  Diaryloxy methano phenanthrenes: a new class of antituberculosis agents

  摘要：

  A new series of diaryloxy methano phenanthrenes were prepared through tertiary-aminoalkylations of [(methoxy-phenyl)-phenanthren-9-yl-methyl]-phenols obtained from Friedel-Crafts alkylations on (methoxy-phenyl)-phenanthren-9-yl-methanols. These series of compounds were evaluated against Mycobacterium tuberculosis H37Rv and showed the desired activity in the range of 6.25 mug/mL in vitro. One of the compound 12j protects the mice from the challenge of M. tuberculosis in vivo, as 30% of the mice were survived at treatment of 50mg/kg body weight. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.07.058
• 作为产物：
  描述：

  9-甲醛菲 在 三氯化铝 、 四氯化锡 、 magnesium 作用下， 以 四氢呋喃 、 正戊烷 、 苯 为溶剂， 反应 3.0h， 生成 4-[(3-methoxyphenyl)phenanthren-9-ylmethyl]phenol
  参考文献：
  名称：

  Diaryloxy methano phenanthrenes: a new class of antituberculosis agents

  摘要：

  A new series of diaryloxy methano phenanthrenes were prepared through tertiary-aminoalkylations of [(methoxy-phenyl)-phenanthren-9-yl-methyl]-phenols obtained from Friedel-Crafts alkylations on (methoxy-phenyl)-phenanthren-9-yl-methanols. These series of compounds were evaluated against Mycobacterium tuberculosis H37Rv and showed the desired activity in the range of 6.25 mug/mL in vitro. One of the compound 12j protects the mice from the challenge of M. tuberculosis in vivo, as 30% of the mice were survived at treatment of 50mg/kg body weight. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.07.058