1-[3-(2-Hydroperoxy-3-methyl-but-3-enyl)-4-hydroxy-phenyl]-ethanone | 922192-55-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[3-(2-Hydroperoxy-3-methyl-but-3-enyl)-4-hydroxy-phenyl]-ethanone
• 英文别名: 1-[3-(2-Hydroperoxy-3-methylbut-3-en-1-yl)-4-hydroxyphenyl]ethan-1-one；1-[3-(2-hydroperoxy-3-methylbut-3-enyl)-4-hydroxyphenyl]ethanone
• CAS: 922192-55-0
• 化学式: C₁₃H₁₆O₄
• 分子量: 236.268
• InChiKey: BVRBKMFZGAADEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-羟基-3-(3-甲基丁-2-烯基)苯基)乙酮 在 tetraphenylporphyrin 氧气 作用下， 以 二氯甲烷 为溶剂， 生成 1-[3-(2-Hydroperoxy-3-methyl-but-3-enyl)-4-hydroxy-phenyl]-ethanone
  参考文献：
  名称：

  ortho-Prenylphenol photooxygenation as a straightforward access to ortho-(2-hydroxy-3-methylbut-3-enyl)phenols

  摘要：

  Photooxygenation (O-1(2)) Of ortho-prenylphenols followed by a reduction (PPh3) at low temperature (-30 degrees C) yields a mixture of ortho-(2-hydroxy-3-methylbut-3-enyl)phenols and ortho-(3-hydroxy-3-methyl-but-1-enyl)phenols. However, by running the two-step sequence at a higher temperature (15 degrees C), the secondary allylic alcohol could be selectively recovered. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)00657-2

文献信息

• ortho-Prenylphenol photooxygenation as a straightforward access to ortho-(2-hydroxy-3-methylbut-3-enyl)phenols
  作者：Jean-Jacques Helesbeux、David Guilet、Denis Séraphin、Olivier Duval、Pascal Richomme、Jean Bruneton

  DOI：10.1016/s0040-4039(00)00657-2

  日期：2000.6

  Photooxygenation (O-1(2)) Of ortho-prenylphenols followed by a reduction (PPh3) at low temperature (-30 degrees C) yields a mixture of ortho-(2-hydroxy-3-methylbut-3-enyl)phenols and ortho-(3-hydroxy-3-methyl-but-1-enyl)phenols. However, by running the two-step sequence at a higher temperature (15 degrees C), the secondary allylic alcohol could be selectively recovered. (C) 2000 Elsevier Science Ltd. All rights reserved.