1-(α-Phenethyl)-1,2,3,4-tetrahydroisochinolin | 41431-77-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-(α-Phenethyl)-1,2,3,4-tetrahydroisochinolin
• 英文别名: 1-(1-phenyl-ethyl)-1,2,3,4-tetrahydro-isoquinoline；1-(1-Phenylethyl)-1,2,3,4-tetrahydroisoquinoline；1-(1-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
• CAS: 41431-77-0
• 化学式: C₁₇H₁₉N
• 分子量: 237.345
• InChiKey: JIOZLMQZYORGDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,4-二(溴甲基)苯 、 1-(α-Phenethyl)-1,2,3,4-tetrahydroisochinolin 以 乙醇 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Mechanism of formation of doubly charged fragments from bis-benzyltetrahydroisoquinolines under electron impact

  摘要：

  AbstractSome bis‐benzyltetrahydroisoquinolines [α,α′‐di‐N,N‐(1‐benzyl‐1,2,3,4‐tetrahydroisoquinoline)‐p‐xylene and various substituted analogues] give rise to very abundant doubly charged fragment ions under electron impact, corresponding to the loss of the two benzyl groups. Substituent effects, ionization and appearance energy measurements and metastable transitions show that these doubly charged ions are formed (at least in part) from singly charged precursors by a heterolytic cleavage (charge separation).

  DOI：

  10.1002/oms.1210151105
• 作为产物：
  描述：

  1-(1-phenyl-ethyl)-3,4-dihydro-isoquinoline 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 1-(α-Phenethyl)-1,2,3,4-tetrahydroisochinolin
  参考文献：
  名称：

  Mechanism of formation of doubly charged fragments from bis-benzyltetrahydroisoquinolines under electron impact

  摘要：

  AbstractSome bis‐benzyltetrahydroisoquinolines [α,α′‐di‐N,N‐(1‐benzyl‐1,2,3,4‐tetrahydroisoquinoline)‐p‐xylene and various substituted analogues] give rise to very abundant doubly charged fragment ions under electron impact, corresponding to the loss of the two benzyl groups. Substituent effects, ionization and appearance energy measurements and metastable transitions show that these doubly charged ions are formed (at least in part) from singly charged precursors by a heterolytic cleavage (charge separation).

  DOI：

  10.1002/oms.1210151105

文献信息

• Mechanism of formation of doubly charged fragments from bis-benzyltetrahydroisoquinolines under electron impact
  作者：Peter Bel、Asher Mandelbaum

  DOI：10.1002/oms.1210151105

  日期：1980.11

  AbstractSome bis‐benzyltetrahydroisoquinolines [α,α′‐di‐N,N‐(1‐benzyl‐1,2,3,4‐tetrahydroisoquinoline)‐p‐xylene and various substituted analogues] give rise to very abundant doubly charged fragment ions under electron impact, corresponding to the loss of the two benzyl groups. Substituent effects, ionization and appearance energy measurements and metastable transitions show that these doubly charged ions are formed (at least in part) from singly charged precursors by a heterolytic cleavage (charge separation).