1-(6-Methoxy-3,4-dihydro-naphthalen-1-yl)-2-(3-methoxy-phenyl)-ethanone | 352022-37-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(6-Methoxy-3,4-dihydro-naphthalen-1-yl)-2-(3-methoxy-phenyl)-ethanone
• CAS: 352022-37-8
• 化学式: C₂₀H₂₀O₃
• 分子量: 308.377
• InChiKey: ZZRPHIVBKSKSSD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.85
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(6-Methoxy-3,4-dihydro-naphthalen-1-yl)-2-(3-methoxy-phenyl)-ethanone 在 sodium tetrahydroborate 、 甲烷磺酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of hexahydrochrysene and tetrahydrobenzofluorene ligands for the estrogen receptor

  摘要：

  To prepare novel estrogen receptor (ER) ligands, we have developed a facile approach to substituted hexahydrochrysene and tetrahydrobenzo[a]fluorene systems. Substituents, including basic side chains, were added to these systems, and their binding affinity to ER alpha and ER beta, and in some cases their transcriptional activity were evaluated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00189-5
• 作为产物：
  描述：

  N'-(6-methoxy-3,4-dihydronaphthalen-1(2H)-ylidene)-4-methylbenzenesulfonohydrazide 、 3-甲氧基苯基乙酰氯 在 正丁基锂 、 四甲基乙二胺 、 三丁基氯化锡 、 N-甲基吡咯烷酮 、 tris(dibenzylideneacetone)dipalladium (0) 作用下， 以80%的产率得到1-(6-Methoxy-3,4-dihydro-naphthalen-1-yl)-2-(3-methoxy-phenyl)-ethanone
  参考文献：
  名称：

  Synthesis and evaluation of hexahydrochrysene and tetrahydrobenzofluorene ligands for the estrogen receptor

  摘要：

  To prepare novel estrogen receptor (ER) ligands, we have developed a facile approach to substituted hexahydrochrysene and tetrahydrobenzo[a]fluorene systems. Substituents, including basic side chains, were added to these systems, and their binding affinity to ER alpha and ER beta, and in some cases their transcriptional activity were evaluated. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00189-5