(2-Methyl-6-phenylmethoxyphenyl)methanol | 875110-16-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (2-Methyl-6-phenylmethoxyphenyl)methanol
• CAS: 875110-16-0
• 化学式: C₁₅H₁₆O₂
• 分子量: 228.291
• InChiKey: GSZWXRGSFZKRCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2-Methyl-6-phenylmethoxyphenyl)methanol 在 四丙基高钌酸铵 、 N-甲基吗啉氧化物 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 3.5h， 生成 (2-Benzyloxy-6-methylphenyl)-(4-methoxyphenyl)methanol
  参考文献：
  名称：

  EP1783110

  摘要：

  公开号：
• 作为产物：
  描述：

  2-benzyloxy-6-methyl-benzoic acid ethyl ester 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 1.17h， 以100%的产率得到(2-Methyl-6-phenylmethoxyphenyl)methanol
  参考文献：
  名称：

  EP1783110

  摘要：

  公开号：

文献信息

• Potential antitumor agents. 61. Structure-activity relationships for in vivo colon 38 activity among disubstituted 9-oxo-9H-xanthene-4-acetic acids
  作者：Gordon W. Rewcastle、Graham J. Atwell、Li Zhuang、Bruce C. Baguley、William A. Denny

  DOI：10.1021/jm00105a034

  日期：1991.1

  Analogues of 9-oxo-9H-xanthene-4-acetic acid (XAA) bearing small, lipophilic 5-substituents are among the most dose-potent compounds yet reported with the capability of causing hemorrhagic necrosis of implanted colon 38 tumors in mice. To further extend structure-activity relationships among this class of compound, a series of XAA derivatives bearing two small lipophilic groups at various positions

  带有小的，亲脂性的5个取代基的9-氧代9H-氧杂蒽-4-乙酸（XAA）的类似物是迄今已报道的最强剂量化合物，具有引起小鼠植入的结肠38肿瘤出血性坏死的能力。为了进一步扩展这类化合物之间的构效关系，已经制备并评估了一系列在不同位置带有两个小的亲脂基团的XAA衍生物。特别是5，6-二取代的化合物始终显示出高水平的剂量效力和活性，这表明这是取代的9-氧代-9H-氧杂蒽-4-乙酸中的最佳构型。5,6-二甲基和5-甲基-6-甲氧基是最有效的类似物，
• Potential antitumor agents. 58. Synthesis and structure-activity relationships of substituted xanthenone-4-acetic acids active against the colon 38 tumor in vivo
  作者：Gordon W. Rewcastle、Graham J. Atwell、Bruce C. Baguley、Stephen B. Calveley、William A. Denny

  DOI：10.1021/jm00124a012

  日期：1989.4

  In a search for compounds related to flavoneacetic acid with activity against solid tumors, a series of methyl-, methoxy-, chloro-, nitro-, and hydroxy-substituted xanthenone-4-acetic acids have been synthesized and evaluated against subcutaneously implanted colon adenocarcinoma 38 in vivo, using a short-term histology assay as a primary screening system. A major goal of this work was to identify compounds with similar profiles of activity to that of flavoneacetic acid but of higher potency. The level of activity of the compounds appeared to depend more on the nature of the substituent than its positioning, in the order Cl greater than Me, OMe greater than NO2, OH. However, the potency of the compounds was related much more to the position rather than the nature of the substitution, with 5-substituted compounds being clearly the most dose potent. 5-Methylxanthenone-4-acetic acid has a similar level of activity to that of flavoneacetic acid in the test systems employed but is more than 7-fold as dose potent.