(4-methoxyphenyl)(2-methyl-4-hydroxyphenyl)(naphth-1-yl)methane | 677761-68-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4-methoxyphenyl)(2-methyl-4-hydroxyphenyl)(naphth-1-yl)methane
• 英文别名: (4-methoxyphenyl)(2-methyl-4-hydroxyphenyl)(1-naphthyl)methane；4-[(4-Methoxyphenyl)-naphthalen-1-ylmethyl]-3-methylphenol
• CAS: 677761-68-1
• 化学式: C₂₅H₂₂O₂
• 分子量: 354.448
• InChiKey: JEZQRQALHNQANH-UHFFFAOYSA-N

物化性质

• 熔点：
  110 °C
• 沸点：
  536.5±38.0 °C(Predicted)
• 密度：
  1.160±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  (4-methoxyphenyl)(2-methyl-4-hydroxyphenyl)(naphth-1-yl)methane 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 、 盐酸 作用下， 以 丙酮 、 乙醇 为溶剂， 以61.22%的产率得到(4-methoxyphenyl)[2-methyl-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl](1-naphthyl)methane hydrochloride
  参考文献：
  名称：

  Diaryl naphthyl methanes a novel class of anti-implantation agents

  摘要：

  Diaryl naphthyl methanes and the corresponding 1, 2, 3, 4- and 5, 6, 7, 8-tetrahydro naphthyl methane derivatives have been synthesized as novel estrogen receptor binding ligands. The secondary and tertiary amino alkoxy derivatives of diaryl naphthyl and tetrahydro naphthyl methane interact with the estrogen receptor to elicit promising estrogenic, antiestrogenic and implantation inhibition activities in rats. The most active compounds in this series are 7, 9 and 20, cent percent active in preventing implantation in rats at 2.5 mgkg(-1) dose. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.015
• 作为产物：
  描述：

  (4-methoxyphenyl)(naphthalen-1-yl)methanone 在 sodium tetrahydroborate 、 三氯化铝 、 四氯化钛 作用下， 以 甲醇 、 正戊烷 、 苯 为溶剂， 生成 (4-methoxyphenyl)(2-methyl-4-hydroxyphenyl)(naphth-1-yl)methane
  参考文献：
  名称：

  Diaryl naphthyl methanes a novel class of anti-implantation agents

  摘要：

  Diaryl naphthyl methanes and the corresponding 1, 2, 3, 4- and 5, 6, 7, 8-tetrahydro naphthyl methane derivatives have been synthesized as novel estrogen receptor binding ligands. The secondary and tertiary amino alkoxy derivatives of diaryl naphthyl and tetrahydro naphthyl methane interact with the estrogen receptor to elicit promising estrogenic, antiestrogenic and implantation inhibition activities in rats. The most active compounds in this series are 7, 9 and 20, cent percent active in preventing implantation in rats at 2.5 mgkg(-1) dose. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.015

文献信息

• The Effect of Co‐catalyst in the Friedel–Crafts Reaction in Synthesis of Diaryl‐naphth‐1‐yl‐methane Derivatives
  作者：S. Ray、Neeta Srivastava、Sangita、Atul Kumar

  DOI：10.1081/scc-120039487

  日期：2004.1.1

  Abstract Synthesis of substituted diaryl‐naphth‐1‐yl‐methane has been carried out by Friedel–Crafts reaction of aryl naphth‐1‐yl methanol with substituted phenols. During the course of this reaction using AlCl3 as catalyst some rearrangements occurred, resulting in the formation of a complex mixture of products. Use of CTMS, ZrCl4, and SnCl4 as a co‐catalyst in combination with AlCl3 enhanced the formation

  摘要 通过芳基萘-1-基甲醇与取代酚的Friedel-Crafts反应合成了取代的二芳基-萘-1-基甲烷。在使用 AlCl3 作为催化剂的反应过程中，发生了一些重排，导致形成复杂的产物混合物。使用 CTMS、ZrCl4 和 SnCl4 作为助催化剂与 结合增强了对烷基化产物的形成。#CDRI 通讯编号 5602。