(3-octyloxiran-2-yl)(phenyl)methanone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-octyloxiran-2-yl)(phenyl)methanone
• 英文别名: [(2S,3R)-3-octyloxiran-2-yl]-phenylmethanone
• 化学式: C₁₇H₂₄O₂
• 分子量: 260.376
• InChiKey: HPUULJKVYAEUQL-WBVHZDCISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  29.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  壬醛 、 二氧化碳 、 2-溴苯乙酮 在 lithium diisopropyl amide 作用下， 以 1,4-二氧六环 为溶剂， 35.0 ℃ 、101.33 kPa 条件下， 反应 0.17h， 以42%的产率得到4-benzoyl-5-octyl-1,3-dioxolan-2-one
  参考文献：
  名称：

  One Approach to Cyclic Carbonates via a Three-Component Cyclization of Phenacyl Bromide, CO₂, and Aldehyde

  摘要：

  A three-component cyclization reaction was designed for synthesizing cyclic carbonates in a single operation from phenacyl bromide, CO2, and aldehyde in the presence of lithium diisopropylamide (LDA). These novel reactions were achieved under extremely mild conditions to generate the target products in moderate to good yields within 10 min.

  DOI：

  10.1021/jo1020294

文献信息

• Optically active epoxy compounds and processes for their production
  申请人：TOSOH CORPORATION

  公开号：EP1403260B1

  公开（公告）日：2007-08-08
• US7169944B2
  申请人：——

  公开号：US7169944B2

  公开（公告）日：2007-01-30
• One Approach to Cyclic Carbonates via a Three-Component Cyclization of Phenacyl Bromide, CO₂, and Aldehyde
  作者：Peng Yan、Xueqin Tan、Huanwang Jing、Shuhui Duan、Xiaoxuan Wang、Zhongli Liu

  DOI：10.1021/jo1020294

  日期：2011.4.15

  A three-component cyclization reaction was designed for synthesizing cyclic carbonates in a single operation from phenacyl bromide, CO2, and aldehyde in the presence of lithium diisopropylamide (LDA). These novel reactions were achieved under extremely mild conditions to generate the target products in moderate to good yields within 10 min.