tert-butyl-{3-[3-(2-methoxyphenyl)prop-2-yne-1-sulfonyl]nona-1,8-diynyl}dimethylsilane | 1214266-60-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: tert-butyl-{3-[3-(2-methoxyphenyl)prop-2-yne-1-sulfonyl]nona-1,8-diynyl}dimethylsilane
• 英文别名: Tert-butyl-[3-[3-(2-methoxyphenyl)prop-2-ynylsulfonyl]nona-1,8-diynyl]-dimethylsilane；tert-butyl-[3-[3-(2-methoxyphenyl)prop-2-ynylsulfonyl]nona-1,8-diynyl]-dimethylsilane
• CAS: 1214266-60-0
• 化学式: C₂₅H₃₄O₃SSi
• 分子量: 442.695
• InChiKey: KWIWHUPSDCSGLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl-{3-[3-(2-methoxyphenyl)prop-2-yne-1-sulfonyl]nona-1,8-diynyl}dimethylsilane 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 14.0h， 以64%的产率得到tert-butyl-(3-hex-5-ynyl-8-methoxy-2,2-dioxo-2,4-dihydro-1H-2λ6-naphtho[2,3-c]thiophen-4-yl)dimethylsilane
  参考文献：
  名称：

  Exploration of Braverman Reaction Chemistry. Synthesis of Tricyclic Dihydrothiophene Dioxide Derivatives from Bispropargyl Sulfones

  摘要：

  The base-mediated bicyclization Of unsymmetrical bispropargyl sulfones furnishes varying yields of dihydroisobenzothiophene dioxides through a presumed diradical intermediate. Attempts to trap a putative thiophene dioxide intermediate via Diels-Alder reaction with a pendant alkyne were not successful.

  DOI：

  10.3987/com-09-11840
• 作为产物：
  描述：

  tert-butyl-{3-[3-(2-methoxyphenyl)prop-2-ynylsulfanyl]nona-1,8-diynyl}dimethylsilane 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以3.74 g的产率得到tert-butyl-{3-[3-(2-methoxyphenyl)prop-2-yne-1-sulfonyl]nona-1,8-diynyl}dimethylsilane
  参考文献：
  名称：

  Exploration of Braverman Reaction Chemistry. Synthesis of Tricyclic Dihydrothiophene Dioxide Derivatives from Bispropargyl Sulfones

  摘要：

  The base-mediated bicyclization Of unsymmetrical bispropargyl sulfones furnishes varying yields of dihydroisobenzothiophene dioxides through a presumed diradical intermediate. Attempts to trap a putative thiophene dioxide intermediate via Diels-Alder reaction with a pendant alkyne were not successful.

  DOI：

  10.3987/com-09-11840

文献信息

• Exploration of Braverman Reaction Chemistry. Synthesis of Tricyclic Dihydrothiophene Dioxide Derivatives from Bispropargyl Sulfones
  作者：Ken S. Feldman、Brandon R. Selfridge

  DOI：10.3987/com-09-11840

  日期：——

  The base-mediated bicyclization Of unsymmetrical bispropargyl sulfones furnishes varying yields of dihydroisobenzothiophene dioxides through a presumed diradical intermediate. Attempts to trap a putative thiophene dioxide intermediate via Diels-Alder reaction with a pendant alkyne were not successful.