1,2-dimethyl-1-(dimethylphenylsilyl)cyclohex-2-ene | 852359-72-9

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: 1,2-dimethyl-1-(dimethylphenylsilyl)cyclohex-2-ene
• 英文别名: (1,2-Dimethylcyclohex-2-en-1-yl)-dimethyl-phenylsilane
• CAS: 852359-72-9
• 化学式: C₁₆H₂₄Si
• 分子量: 244.452
• InChiKey: ZYNCRIJGELAVOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  306.5±31.0 °C(Predicted)
• 密度：
  0.92±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.49
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  7,9-difluoro-5-methoxy-2,2,4-trimethyl-2,5-dihydro-(1H)-6-oxa-1-aza-chrysene 、 1,2-dimethyl-1-(dimethylphenylsilyl)cyclohex-2-ene 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 以31%的产率得到(+/-)-(5l,1'l)-5-(2,3-dimethyl-2-cyclohexenyl)-7,9-difluoro-1,2-dihydro-2,2,4-trimethyl-5H-chromeno[3,4-f]quinoline
  参考文献：
  名称：

  A Tissue-Selective Nonsteroidal Progesterone Receptor Modulator: 7,9-Difluoro-5-(3-methylcyclohex-2-enyl)-2,2,4-trimethyl-1,2-dihydrochromeno[3,4-f]quinoline

  摘要：

  The progesterone receptor plays an important role in the female reproductive system. Here we describe the discovery of a new selective progesterone receptor modulator (SPRM). In rats, the lead compound, 7,9-difluoro-5-(3-methylcyclohex-2-enyl)-2,2,4-trimethyl-1,2-dihydrochromeno[3,4-f]quinoline (5c), inhibited ovulation and showed full efficacy in uterine and vaginal tissue but was a mixed partial agonist/antagonist in breast tissue. The compound also suppressed ovulation in monkeys, but in contrast to currently approved steroidal PR agonists, it did not suppress estradiol levels.

  DOI：

  10.1021/jm8004256