2,4-Dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3-thione | 524047-44-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,4-Dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3-thione
• CAS: 524047-44-7
• 化学式: C₁₁H₆O₂S
• 分子量: 202.233
• InChiKey: KCTSDQGFFZKGEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,4-Dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3-thione 在 9-borabicyclo[3.3.1]nonane dimer 作用下， 以 四氢呋喃 为溶剂， 生成 3-[3-(2,5-Dimethoxyphenyl)propyl]-3-methylsulfanyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
  参考文献：
  名称：

  A Novel Route to 1,8-Dihydroxy-naphthalene-derived Natural Products. Synthesis of (±)-CJ-12,372

  摘要：

  1, 8-Dihydroxynaphthalene-derived natural products show a wide variety of biological activities, and thus have the attracted interest of both the chemical and biological communities. We report a novel and efficient approach to these natural products and its application to the total synthesis of (+/-)-CJ-12,372, a representative example of this class of compounds.

  DOI：

  10.3987/com-02-s32
• 作为产物：
  描述：

  硫光气 、 1,8-二羟基萘 在 吡啶 、 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到2,4-Dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3-thione
  参考文献：
  名称：

  A Novel Route to 1,8-Dihydroxy-naphthalene-derived Natural Products. Synthesis of (±)-CJ-12,372

  摘要：

  1, 8-Dihydroxynaphthalene-derived natural products show a wide variety of biological activities, and thus have the attracted interest of both the chemical and biological communities. We report a novel and efficient approach to these natural products and its application to the total synthesis of (+/-)-CJ-12,372, a representative example of this class of compounds.

  DOI：

  10.3987/com-02-s32