[11-(3-methoxyphenyl)undecyl]methylcarbamic acid tert-butyl ester | 557786-46-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [11-(3-methoxyphenyl)undecyl]methylcarbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[11-(3-methoxyphenyl)undecyl]-N-methylcarbamate
• CAS: 557786-46-6
• 化学式: C₂₄H₄₁NO₃
• 分子量: 391.594
• InChiKey: HRSXBLQACGAGKJ-UHFFFAOYSA-N

物化性质

• 沸点：
  477.6±14.0 °C(Predicted)
• 密度：
  0.967±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  28
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [11-(3-methoxyphenyl)undecyl]methylcarbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以92%的产率得到[11-(3-methoxyphenyl)undecyl]methylamine
  参考文献：
  名称：

  Mechanism of Electrophilic Chlorination:  Experimental Determination of a Geometrical Requirement for Chlorine Transfer by the Endocyclic Restriction Test

  摘要：

  An endocyclic restriction test for acid-catalyzed transfer of chlorine from a protonated chloroamine to an aromatic ring provides data that are consistent with a transition structure with a large bond angle between the entering and leaving groups around chlorine. These results rule out a dissociative mechanism or a mechanism that has an oblique angle between the entering and leaving groups.

  DOI：

  10.1021/ja0300463
• 作为产物：
  描述：

  10-十一炔醇 在 palladium on activated charcoal 、 copper(l) iodide tris-(dibenzylideneacetone)dipalladium(0) 、 四溴化碳 、 氢气 、 sodium hydride 、 三乙胺 、 三苯基膦 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 55.0h， 生成 [11-(3-methoxyphenyl)undecyl]methylcarbamic acid tert-butyl ester
  参考文献：
  名称：

  Mechanism of Electrophilic Chlorination:  Experimental Determination of a Geometrical Requirement for Chlorine Transfer by the Endocyclic Restriction Test

  摘要：

  An endocyclic restriction test for acid-catalyzed transfer of chlorine from a protonated chloroamine to an aromatic ring provides data that are consistent with a transition structure with a large bond angle between the entering and leaving groups around chlorine. These results rule out a dissociative mechanism or a mechanism that has an oblique angle between the entering and leaving groups.

  DOI：

  10.1021/ja0300463

文献信息

• Mechanism of Electrophilic Chlorination:  Experimental Determination of a Geometrical Requirement for Chlorine Transfer by the Endocyclic Restriction Test
  作者：Suk Joong Lee、Michael S. Terrazas、Daniel J. Pippel、Peter Beak

  DOI：10.1021/ja0300463

  日期：2003.6.1

  An endocyclic restriction test for acid-catalyzed transfer of chlorine from a protonated chloroamine to an aromatic ring provides data that are consistent with a transition structure with a large bond angle between the entering and leaving groups around chlorine. These results rule out a dissociative mechanism or a mechanism that has an oblique angle between the entering and leaving groups.