1-(3-Bromo-2-(bromomethyl)propyl)-4-chlorobenzene | 1046446-10-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3-Bromo-2-(bromomethyl)propyl)-4-chlorobenzene
• 英文别名: 1-[3-bromo-2-(bromomethyl)propyl]-4-chlorobenzene
• CAS: 1046446-10-9
• 化学式: C₁₀H₁₁Br₂Cl
• 分子量: 326.458
• InChiKey: AVPPHLLDFOINIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  13
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-(3-Bromo-2-(bromomethyl)propyl)-4-chlorobenzene 在 samarium diiodide 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以52%的产率得到1-chloro-4-cyclopropylmethylbenzene
  参考文献：
  名称：

  Radical 3-exo-tet cyclization of 1,3-dihalopropanes with SmI2 to form cyclopropanes

  摘要：

  The preparation of 1,1-disubstituted and monosubstituted cycloproparres from corresponding 2,2-disubstituted and 2-monosubstituted 1,3-dihalopropanes, respectively, with SMI2 in THF was efficiently carried out. The reaction mechanism was proposed to proceed in a radical 3-exo-tet manner based on Baldwin's rule. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.05.081

文献信息

• Radical 3-exo-tet cyclization of 1,3-dihalopropanes with SmI2 to form cyclopropanes
  作者：Tsuyoshi Ohkita、Yuhsuke Tsuchiya、Hideo Togo

  DOI：10.1016/j.tet.2008.05.081

  日期：2008.7

  The preparation of 1,1-disubstituted and monosubstituted cycloproparres from corresponding 2,2-disubstituted and 2-monosubstituted 1,3-dihalopropanes, respectively, with SMI2 in THF was efficiently carried out. The reaction mechanism was proposed to proceed in a radical 3-exo-tet manner based on Baldwin's rule. (c) 2008 Elsevier Ltd. All rights reserved.