(4-methylthiophenyl)(2-methyl-4-diethylaminoethoxyphenyl)(naphth-1-yl)methane | 1143580-96-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4-methylthiophenyl)(2-methyl-4-diethylaminoethoxyphenyl)(naphth-1-yl)methane
• 英文别名: (4-Methylthiophenyl)(2-methyl-4-diethylaminoethoxy-phenyl)(naphth-1-yl)methane；N,N-diethyl-2-[3-methyl-4-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethyl]phenoxy]ethanamine
• CAS: 1143580-96-4
• 化学式: C₃₁H₃₅NOS
• 分子量: 469.691
• InChiKey: KVCFXIRYLRCNNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  37.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4-methylthiophenyl)(2-methyl-4-diethylaminoethoxyphenyl)(naphth-1-yl)methane 在 双氧水 、 溶剂黄146 作用下， 以56.2%的产率得到(4-methylsulfonylphenyl)(2-methyl-4-diethylaminoethoxyphenyl)(naphth-1-yl)methane
  参考文献：
  名称：

  Thiol derivatives of arylnaphthylmethane as novel anti-osteoporotic agents

  摘要：

  (Mercaptophenyl)naphthylmethane derivatives were synthesized as novel estrogen receptor binding ligands. [4-(Methylsulfonyl)phenyl](naphth-1-yl)ketone shows a very promising activity towards osteoporosis.

  DOI：

  10.1007/s00706-007-0848-2
• 作为产物：
  描述：

  (4-methylthiophenyl)(2-methyl-4-hydroxyphenyl)(naphth-1-yl)methane 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 (4-methylthiophenyl)(2-methyl-4-diethylaminoethoxyphenyl)(naphth-1-yl)methane
  参考文献：
  名称：

  Thiol derivatives of arylnaphthylmethane as novel anti-osteoporotic agents

  摘要：

  (Mercaptophenyl)naphthylmethane derivatives were synthesized as novel estrogen receptor binding ligands. [4-(Methylsulfonyl)phenyl](naphth-1-yl)ketone shows a very promising activity towards osteoporosis.

  DOI：

  10.1007/s00706-007-0848-2