3,3-dimethyl-5‑methylthioethynyl-3H-pyrazole

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3,3-dimethyl-5‑methylthioethynyl-3H-pyrazole
• 化学式: C₈H₁₀N₂S
• 分子量: 166.247
• InChiKey: ZRDKMNTZFUVIAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.44
• 重原子数：
  11.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  24.72
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3,3-dimethyl-5‑methylthioethynyl-3H-pyrazole 、 异丁烯 以 苯 为溶剂， 以10%的产率得到
  参考文献：
  名称：

  Alkylthio(4-methylpent-3-en-1-ynyl)carbenes: generation by the photolysis of 5-alkylthioethynyl-3,3-dimethyl-3H-pyrazoles and reactions with alkenes

  摘要：

  New singlet alkylthio(4-methylpent-3-en-1-ynyl)carbenes were generated by photolysis of corresponding 5-alkylthioethynyl-3,3-dimethyl-3H-pyrazoles and subsequently trapped by alkenes giving rise to 1-alkynyl-1-(alkylthio)cyclopropanes in yields up to 60%.

  DOI：

  10.1016/j.mencom.2019.03.006
• 作为产物：
  描述：

  1'ethynyl-5 pyrazolenine 、 碘甲烷 在 正丁基锂 、 二异丙胺 、 1,2,3,4,5,6,7,8-八硫杂环辛烷 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.17h， 以52%的产率得到3,3-dimethyl-5‑methylthioethynyl-3H-pyrazole
  参考文献：
  名称：

  Alkylthio(4-methylpent-3-en-1-ynyl)carbenes: generation by the photolysis of 5-alkylthioethynyl-3,3-dimethyl-3H-pyrazoles and reactions with alkenes

  摘要：

  New singlet alkylthio(4-methylpent-3-en-1-ynyl)carbenes were generated by photolysis of corresponding 5-alkylthioethynyl-3,3-dimethyl-3H-pyrazoles and subsequently trapped by alkenes giving rise to 1-alkynyl-1-(alkylthio)cyclopropanes in yields up to 60%.

  DOI：

  10.1016/j.mencom.2019.03.006

文献信息

• Alkylthio(4-methylpent-3-en-1-ynyl)carbenes: generation by the photolysis of 5-alkylthioethynyl-3,3-dimethyl-3H-pyrazoles and reactions with alkenes
  作者：Valentin D. Gvozdev、Konstantin N. Shavrin、Esfir G. Baskir、Oleg M. Nefedov、Mikhail P. Egorov

  DOI：10.1016/j.mencom.2019.03.006

  日期：2019.3

  New singlet alkylthio(4-methylpent-3-en-1-ynyl)carbenes were generated by photolysis of corresponding 5-alkylthioethynyl-3,3-dimethyl-3H-pyrazoles and subsequently trapped by alkenes giving rise to 1-alkynyl-1-(alkylthio)cyclopropanes in yields up to 60%.