2-iodo-4-methylphenyl-2-methyl-cyclopentenecarboxylate | 397333-04-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 2-iodo-4-methylphenyl-2-methyl-cyclopentenecarboxylate
• 英文别名: (2-Iodo-4-methylphenyl) 2-methylcyclopentene-1-carboxylate
• CAS: 397333-04-9
• 化学式: C₁₄H₁₅IO₂
• 分子量: 342.176
• InChiKey: GBMRICLGQZVKHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-iodo-4-methylphenyl-2-methyl-cyclopentenecarboxylate 在 palladium diacetate 、 三正丁胺 、 三(邻甲基苯基)磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 以95%的产率得到1',5-Dimethylspiro[1-benzofuran-3,5'-cyclopentene]-2-one
  参考文献：
  名称：

  First syntheses of 1,13- and 1,15-dihydroxyherbertenes, and herbertenolide by applying intramolecular Heck reaction for the construction of adjacent quaternary centers

  摘要：

  1,13- and 1,15-Dihydroxyherbertenes and hebertenolide, typical herbertane-type sesquiterpenes with an oxidized methyl group, were synthesized by using intramolecular Heck reaction for the construction of adjacent quaternary centers. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00932-2
• 作为产物：
  描述：

  (6ci,9ci)-2-甲基-1-环戊烯-1-羧酸 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 苯 为溶剂， 反应 17.0h， 生成 2-iodo-4-methylphenyl-2-methyl-cyclopentenecarboxylate
  参考文献：
  名称：

  First syntheses of 1,13- and 1,15-dihydroxyherbertenes, and herbertenolide by applying intramolecular Heck reaction for the construction of adjacent quaternary centers

  摘要：

  1,13- and 1,15-Dihydroxyherbertenes and hebertenolide, typical herbertane-type sesquiterpenes with an oxidized methyl group, were synthesized by using intramolecular Heck reaction for the construction of adjacent quaternary centers. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00932-2

文献信息

• First syntheses of 1,13- and 1,15-dihydroxyherbertenes, and herbertenolide by applying intramolecular Heck reaction for the construction of adjacent quaternary centers
  作者：Yoshiyasu Fukuyama、Hiroaki Yuasa、Yasutoshi Tonoi、Kenichi Harada、Mitsumasa Wada、Yoshinori Asakawa、Toshinori Hashimoto

  DOI：10.1016/s0040-4020(01)00932-2

  日期：2001.11

  1,13- and 1,15-Dihydroxyherbertenes and hebertenolide, typical herbertane-type sesquiterpenes with an oxidized methyl group, were synthesized by using intramolecular Heck reaction for the construction of adjacent quaternary centers. (C) 2001 Elsevier Science Ltd. All rights reserved.