15-tert-Butyl-17-methoxy-6,8-dimethyl-3,7,11-trithia-tricyclo[11.3.1.0^5,9]heptadeca-1(16),5,8,13(17),14-pentaene 3,3,11,11-tetraoxide | 133296-43-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 15-tert-Butyl-17-methoxy-6,8-dimethyl-3,7,11-trithia-tricyclo[11.3.1.0^5,9]heptadeca-1(16),5,8,13(17),14-pentaene 3,3,11,11-tetraoxide
• 英文别名: 15-tert-butyl-17-methoxy-6,8-dimethyl-3λ6,7,11λ6-trithiatricyclo[11.3.1.05,9]heptadeca-1(16),5,8,13(17),14-pentaene 3,3,11,11-tetraoxide
• CAS: 133296-43-2
• 化学式: C₂₁H₂₈O₅S₃
• 分子量: 456.648
• InChiKey: ZXXAFVUPLYIGAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.21
• 重原子数：
  29.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  77.51
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  15-tert-Butyl-17-methoxy-6,8-dimethyl-3,7,11-trithia-tricyclo[11.3.1.0^5,9]heptadeca-1(16),5,8,13(17),14-pentaene 3,3,11,11-tetraoxide 480.0 ℃ 、106.66 Pa 条件下， 以15%的产率得到7-tert-butyl-9,10-dihydro-1,3,5-trimethyl-4H-benzo<4,5>cyclohepta<1,2-c>thiophene
  参考文献：
  名称：

  Synthesis and conformation of dithia[3]metacyclo[3]thiophenophanes and [2]metacyclo[2]thiophenophanes

  摘要：

  Dithia[3]metacyclo[3]- -(2,3)-, -(2,4)-, -(2,5)-, and -(3,4)thiophenophanes were prepared by dithiol bis-alkylations and were oxidized with m-chloroperbenzoic acid to the corresponding tetraoxides. Pyrolysis of the tetraoxides under a reduced pressure gave the corresponding [2]metacyclo[2]thiophenophanes together with many unexpected compounds. The conformations of the obtained products are also discussed.

  DOI：

  10.1021/jo00008a046
• 作为产物：
  描述：

  6-tert-butyl-9-methoxy-14,16-dimethyl-2,11-dithia<3>metacyclo<3>(3,4)thiophenophane 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以84%的产率得到15-tert-Butyl-17-methoxy-6,8-dimethyl-3,7,11-trithia-tricyclo[11.3.1.0^5,9]heptadeca-1(16),5,8,13(17),14-pentaene 3,3,11,11-tetraoxide
  参考文献：
  名称：

  Synthesis and conformation of dithia[3]metacyclo[3]thiophenophanes and [2]metacyclo[2]thiophenophanes

  摘要：

  Dithia[3]metacyclo[3]- -(2,3)-, -(2,4)-, -(2,5)-, and -(3,4)thiophenophanes were prepared by dithiol bis-alkylations and were oxidized with m-chloroperbenzoic acid to the corresponding tetraoxides. Pyrolysis of the tetraoxides under a reduced pressure gave the corresponding [2]metacyclo[2]thiophenophanes together with many unexpected compounds. The conformations of the obtained products are also discussed.

  DOI：

  10.1021/jo00008a046

文献信息

• TAKESHITA, MICHINORI;TASHIRO, MASASHI, J. ORG. CHEM., 56,(1991) N, C. 2837-2845
  作者：TAKESHITA, MICHINORI、TASHIRO, MASASHI

  DOI：——

  日期：——