2-iodo-4-methylphenyl 1-allyl-2-methyl-2-cyclopentenecarboxylate | 397333-03-8

• 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 1-allyl-2-methyl-2-cyclopentenecarboxylate
• CAS: 397333-03-8
• 化学式: C₁₇H₁₉IO₂
• 分子量: 382.241
• InChiKey: PGZLWETZYFRQJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.81
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-iodo-4-methylphenyl 1-allyl-2-methyl-2-cyclopentenecarboxylate 在 copper(l) iodide 、 氧气 、 palladium dichloride 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 以56%的产率得到(S)-2-Methyl-1-(2-oxo-propyl)-cyclopent-2-enecarboxylic acid 2-iodo-4-methyl-phenyl ester
  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：

  methyl 1-allyl-2-methyl-2-cyclopentenecarboxylate 在 4-二甲氨基吡啶 、 sodium hydroxide 、 水 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 苯 为溶剂， 反应 24.0h， 生成 2-iodo-4-methylphenyl 1-allyl-2-methyl-2-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.