2-(Chloromethyl)-3,5,6-trimethoxycyclohexa-2,5-diene-1,4-dione | 238739-96-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(Chloromethyl)-3,5,6-trimethoxycyclohexa-2,5-diene-1,4-dione
• CAS: 238739-96-3
• 化学式: C₁₀H₁₁ClO₅
• 分子量: 246.647
• InChiKey: QWXVCKPPLQTBKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  、 2-(Chloromethyl)-3,5,6-trimethoxycyclohexa-2,5-diene-1,4-dione 以 甲醇 为溶剂， 反应 24.0h， 以87%的产率得到2-[(4-Hydroxy-2-oxochromen-3-yl)methyl]-3,5,6-trimethoxycyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Radical reactions leading to substituted coumarins

  摘要：

  The reaction of 4-hydroxycoumarins with a series of quinonic chlorides under photostimulation was shown to provide an efficient approach to 3-alkylated coumarin derivatives, Alkylation reactions of this type proceeded via an electron transfer mechanism (S(RN)1). (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00777-7
• 作为产物：
  描述：

  chloromethyl-pentamethoxy-benzene 在 ammonium cerium(IV) nitrate 作用下， 以 水 、 乙腈 为溶剂， 反应 1.0h， 生成 2-(Chloromethyl)-3,5,6-trimethoxycyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  Radical reactions leading to substituted coumarins

  摘要：

  The reaction of 4-hydroxycoumarins with a series of quinonic chlorides under photostimulation was shown to provide an efficient approach to 3-alkylated coumarin derivatives, Alkylation reactions of this type proceeded via an electron transfer mechanism (S(RN)1). (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00777-7

文献信息

• Radical reactions leading to substituted coumarins
  作者：Anne Giraud、Patrice Vanelle、Luc Giraud

  DOI：10.1016/s0040-4039(99)00777-7

  日期：1999.6

  The reaction of 4-hydroxycoumarins with a series of quinonic chlorides under photostimulation was shown to provide an efficient approach to 3-alkylated coumarin derivatives, Alkylation reactions of this type proceeded via an electron transfer mechanism (S(RN)1). (C) 1999 Published by Elsevier Science Ltd. All rights reserved.