N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methoxy-N-(6-methoxy-3,4-dihydronaphthalen-1-yl)benzamide | 361433-78-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methoxy-N-(6-methoxy-3,4-dihydronaphthalen-1-yl)benzamide
• CAS: 361433-78-5
• 化学式: C₃₁H₃₇NO₄Si
• 分子量: 515.725
• InChiKey: WIXHPTXEVGSTQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.72
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  48
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methoxy-N-(6-methoxy-3,4-dihydronaphthalen-1-yl)benzamide 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 以92%的产率得到N-(2-bromo-6-methoxy-3,4-dihydronaphthalen-1-yl)-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methoxybenzamide
  参考文献：
  名称：

  Photochemical Synthesis of N-Arylbenzophenanthridine Selective Estrogen Receptor Modulators (SERMs)

  摘要：

  Selective estrogen receptor modulators are an emerging class of pharmaceutically important molecules. Many compounds in this class contain an aminoethoxyaryl moiety attached to a polycyclic framework at an asymmetric carbon atom. To assess whether this carbon atom can be replaced by nitrogen, we have employed a Ninomiya enamide photocyclization for the rapid synthesis of a novel N-arylbenzophenanthridine framework, 4. Further elaboration of 4 into a new structural class of achiral, nonsteroidal estrogen receptor modulators is described.

  DOI：

  10.1021/jm0101601
• 作为产物：
  描述：

  6-methoxy-1-[(4-hydroxy)phenyl]imino-1,2,3,4-tetrahydronaphthalene 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-methoxy-N-(6-methoxy-3,4-dihydronaphthalen-1-yl)benzamide
  参考文献：
  名称：

  Photochemical Synthesis of N-Arylbenzophenanthridine Selective Estrogen Receptor Modulators (SERMs)

  摘要：

  Selective estrogen receptor modulators are an emerging class of pharmaceutically important molecules. Many compounds in this class contain an aminoethoxyaryl moiety attached to a polycyclic framework at an asymmetric carbon atom. To assess whether this carbon atom can be replaced by nitrogen, we have employed a Ninomiya enamide photocyclization for the rapid synthesis of a novel N-arylbenzophenanthridine framework, 4. Further elaboration of 4 into a new structural class of achiral, nonsteroidal estrogen receptor modulators is described.

  DOI：

  10.1021/jm0101601