6,7-dimethyl-10-exo-hydroxytetracyclo<5.3.0.0.^2,60^4,9>decan-3-one | 74069-63-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6,7-dimethyl-10-exo-hydroxytetracyclo<5.3.0.0.^2,60^4,9>decan-3-one
• 英文别名: 5-hydroxy-8,9-dimethyltetracyclo[4.4.0.03,9.04,8]decan-2-one
• CAS: 74069-63-9
• 化学式: C₁₂H₁₆O₂
• 分子量: 192.258
• InChiKey: MSPUQSVEAUEKGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6,7-dimethyl-10-exo-hydroxytetracyclo<5.3.0.0.^2,60^4,9>decan-3-one 在 lithium aluminium tetrahydride 、 硫酸 、 potassium acetate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 反应 27.0h， 生成 4,5-dimethyl-11-azapentacyclo<6.2.1.0.^2,70.^4,100^5,9>decane
  参考文献：
  名称：

  Synthesis and antiviral activity of 11-azapentacyclo[6.2.1.0.2,70.4,1005,9]decane

  摘要：

  11-Azapentacyclo[6.2.1.0.0.0]decane (6a) as well as its 6,7-dimethyl derivative 6b was synthesized by a novel, four-step sequence that holds promise for the construction of a variety of cage compounds with bridging nitrogen atoms. The hydrochloride salt of 6a was shown to possess no antiviral activity against either the influenza virus A/Victoria/3/75 or the herpes simplex viruses HSV-1 and HSV-2.

  DOI：

  10.1021/jm00383a022
• 作为产物：
  描述：

  8,9-dimethyl-5-hydroxybicyclo<4.4.0>deca-3,8-diene-2-one 以 苯 为溶剂， 反应 3.5h， 以71%的产率得到6,7-dimethyl-10-exo-hydroxytetracyclo<5.3.0.0.^2,60^4,9>decan-3-one
  参考文献：
  名称：

  Synthesis and antiviral activity of 11-azapentacyclo[6.2.1.0.2,70.4,1005,9]decane

  摘要：

  11-Azapentacyclo[6.2.1.0.0.0]decane (6a) as well as its 6,7-dimethyl derivative 6b was synthesized by a novel, four-step sequence that holds promise for the construction of a variety of cage compounds with bridging nitrogen atoms. The hydrochloride salt of 6a was shown to possess no antiviral activity against either the influenza virus A/Victoria/3/75 or the herpes simplex viruses HSV-1 and HSV-2.

  DOI：

  10.1021/jm00383a022

文献信息

• Mills, Owen S.; Watt, Ian F.; Whitworth, Steven M., journal of the chemical society-perkin transactions 2, 1990, # 3, p. 487 - 497
  作者：Mills, Owen S.、Watt, Ian F.、Whitworth, Steven M.

  DOI：——

  日期：——
• Synthesis and antiviral activity of 11-azapentacyclo[6.2.1.0.2,70.4,1005,9]decane
  作者：Stephen L. Sacks、John R. Scheffer、Chong Ze Teh、Allan Tse

  DOI：10.1021/jm00383a022

  日期：1985.6

  11-Azapentacyclo[6.2.1.0.0.0]decane (6a) as well as its 6,7-dimethyl derivative 6b was synthesized by a novel, four-step sequence that holds promise for the construction of a variety of cage compounds with bridging nitrogen atoms. The hydrochloride salt of 6a was shown to possess no antiviral activity against either the influenza virus A/Victoria/3/75 or the herpes simplex viruses HSV-1 and HSV-2.