(4-methylthiophenyl)(4-piperidinoethoxyphenyl)(naphth-1-yl)methane | 1144161-72-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (4-methylthiophenyl)(4-piperidinoethoxyphenyl)(naphth-1-yl)methane
• 英文别名: 1-[2-[4-[(4-Methylsulfanylphenyl)-naphthalen-1-ylmethyl]phenoxy]ethyl]piperidine
• CAS: 1144161-72-7
• 化学式: C₃₁H₃₃NOS
• 分子量: 467.675
• InChiKey: GCDLXHCMOFPOEM-UHFFFAOYSA-N

物化性质

• 沸点：
  628.3±55.0 °C(predicted)
• 密度：
  1.18±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  5.0
• 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)(4-piperidinoethoxyphenyl)(naphth-1-yl)methane 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 (4-methylthiophenyl)(4-piperidinoethoxyphenyl)(naphth-1-yl)methane hydrochloride
  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)(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)(4-piperidinoethoxyphenyl)(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

文献信息

• Thiol derivatives of arylnaphthylmethane as novel anti-osteoporotic agents
  作者：Sangita、Atul Kumar、Shikha Sharma、Surojeet Sengupta、Man Mohan Singh、Suprabhat Ray

  DOI：10.1007/s00706-007-0848-2

  日期：2008.10

  (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.