2-methyl-2-(2',5'-dimethoxyphenyl)cyclopentane-1,3-dione | 72229-54-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 2-methyl-2-(2',5'-dimethoxyphenyl)cyclopentane-1,3-dione
• 英文别名: 2-(2,5-dimethoxyphenyl)-2-methyl-1,3-cyclopentanedione；2-(2,5-dimethoxyphenyl)-2-methylcyclopentane-1,3-dione
• CAS: 72229-54-0
• 化学式: C₁₄H₁₆O₄
• 分子量: 248.279
• InChiKey: POBZTPNSNKLBHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.89
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2',5'-dimethoxyacetophenone dimethyl acetal 在 三氟化硼乙醚 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 2-methyl-2-(2',5'-dimethoxyphenyl)cyclopentane-1,3-dione
  参考文献：
  名称：

  Synthesis of C-ring-functionalized A-ring-aromatic trichothecane analogs

  摘要：

  DOI：

  10.1021/jo01291a026

文献信息

• Hypervalent Iodine-Induced Nucleophilic Substitution of para-Substituted Phenol Ethers. Generation of Cation Radicals as Reactive Intermediates
  作者：Yasuyuki Kita、Hirofumi Tohma、Kenji Hatanaka、Takeshi Takada、Shigekazu Fujita、Shizue Mitoh、Hiromu Sakurai、Shigenori Oka

  DOI：10.1021/ja00088a003

  日期：1994.5

  A novel hypervalent iodine induced nucleophilic substitution of para-substituted phenol ethers in the presence of a variety of nucleophiles is described. UV and ESR spectroscopic studies indicate that this reaction proceeds via cation radicals, [ArH.+], as reactive intermediates generated by single-electron transfer (SET) from a charge-transfer (dT) complex of phenol ethers with phenyliodine(III) bis(trifluoroacetate) (PIFA). This is the first case that involves a radical intermediate on hypervalent iodine oxidations of aromatic compounds.
• Kita Yasuyuki, Tohma Hirofumi, Hatanaka Kenji, Takada Takeshi, Fujita Shi+, J. Amer. Chem. Soc., 116 (1994) N 9, S 3684-3691
  作者：Kita Yasuyuki, Tohma Hirofumi, Hatanaka Kenji, Takada Takeshi, Fujita Shi+

  DOI：——

  日期：——