1-cyclohexyl-4-(m-methoxyphenyl)-1-butanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-cyclohexyl-4-(m-methoxyphenyl)-1-butanone
• 英文别名: 1-Cyclohexyl-4-(3-methoxyphenyl)butan-1-one
• 化学式: C₁₇H₂₄O₂
• 分子量: 260.376
• InChiKey: LCMPUUIVKPJTKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-己烯醛 在 正丁基锂 、 三氟化硼乙醚 、 二甲基亚砜 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 14.0h， 生成 1-cyclohexyl-4-(m-methoxyphenyl)-1-butanone
  参考文献：
  名称：

  Substituent Effects On Intramolecular Epoxide Cyclizations That Can Competitively Occur at Aromatic or Double Bond Positions¹

  摘要：

  The effects of substituents on epoxides that can competitively cyclize at either a double bond or aromatic position were determined. Adding a group that would stabilize the transition state of the double bond cyclization of an epoxide that underwent predominantly aromatic cyclization increased the relative amount of the former pathway, but not dramatically. Adding a strong activating substituent to the aromatic group of an epoxide that underwent predominantly double bond cyclization increased the relative amount of aromatic cyclization, but a complex product mixture was obtained. An explanation of the behavior observed is presented.

  DOI：

  10.1021/jo951945f

文献信息

• Substituent Effects On Intramolecular Epoxide Cyclizations That Can Competitively Occur at Aromatic or Double Bond Positions¹
  作者：Stephen K. Taylor、Scott A. May、Eric S. Stansby

  DOI：10.1021/jo951945f

  日期：1996.1.1

  The effects of substituents on epoxides that can competitively cyclize at either a double bond or aromatic position were determined. Adding a group that would stabilize the transition state of the double bond cyclization of an epoxide that underwent predominantly aromatic cyclization increased the relative amount of the former pathway, but not dramatically. Adding a strong activating substituent to the aromatic group of an epoxide that underwent predominantly double bond cyclization increased the relative amount of aromatic cyclization, but a complex product mixture was obtained. An explanation of the behavior observed is presented.