[4-(3-methoxyphenyl)butyl]methylcarbamic acid tert-butyl ester | 557786-37-5

• 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: [4-(3-methoxyphenyl)butyl]methylcarbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[4-(3-methoxyphenyl)butyl]-N-methylcarbamate
• CAS: 557786-37-5
• 化学式: C₁₇H₂₇NO₃
• 分子量: 293.406
• InChiKey: BTPHGLNCBVRPQO-UHFFFAOYSA-N

物化性质

• 沸点：
  397.0±21.0 °C(Predicted)
• 密度：
  1.014±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 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：

  [4-(3-methoxyphenyl)butyl]methylcarbamic acid tert-butyl ester 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以93%的产率得到[4-(3-methoxyphenyl)butyl]dimethylamine
  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：

  4-(3-methoxyphenyl)but-3-yn-1-ol 在 palladium on activated charcoal 四溴化碳 、 氢气 、 sodium hydride 、 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 39.0h， 生成 [4-(3-methoxyphenyl)butyl]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.