1-<4-Fluorbenzyl>-1,2,3,4-tetrahydro-isochinolin | 46892-41-5

• 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-<4-Fluorbenzyl>-1,2,3,4-tetrahydro-isochinolin
• 英文别名: 1-(4-fluoro-benzyl)-1,2,3,4-tetrahydro-isoquinoline；1-[(4-Fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
• CAS: 46892-41-5
• 化学式: C₁₆H₁₆FN
• mdl: MFCD19567944
• 分子量: 241.308
• InChiKey: DEGLBZDRPPRQFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4-二(溴甲基)苯 、 1-<4-Fluorbenzyl>-1,2,3,4-tetrahydro-isochinolin 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-<4'-Fluor-benzyl>-3.4-dihydro-isochinolin 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 1-<4-Fluorbenzyl>-1,2,3,4-tetrahydro-isochinolin
  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

• 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP0617022A1

  公开（公告）日：1994-09-28

  This invention relates to novel 6, 7 - dialkoxy - 3, 4 - dihydroisoquinolin - 8 - ols, a process for preparing the 6, 7 - dialkoxy - 3, 4 - dihydroisoquinolin - 8 - ols reioselectively and in a high yield utilizing the Bischler - Napieralski reaction, a process for synthesizing 6, 7 - dialkoxy - 1, 2, 3, 4 - tetrahydroisoquinolin - 8 - ols via the compounds, and use of the 6, 7 - dialkoxy - 3, 4 - dihydroisoquinolin - 8 - ols for preparation of the 6, 7 - dialkoxy - 1, 2, 3, 4 - tetrahydroisoquinolin - 8 - ols.. It is possible, according to this invention, to obtain the 6, 7 - dialkoxy - 1, 2, 3, 4 - tetrahydroisoquinolin - 8 - ols, which have hitherto been difficult to synthesize, via the 6, 7 - dialkoxy - 3, 4 - dihydroisoquinolin - 8 - ols in a high yield.

  本发明涉及新型 6, 7 - 二烷氧基 - 3, 4 - 二氢异喹啉 - 8 - 邻苯二甲酸酯，一种利用 Bischler - Napieralski 反应再选择性和高产率制备 6, 7 - 二烷氧基 - 3, 4 - 二氢异喹啉 - 8 - 邻苯二甲酸酯的工艺、通过这些化合物合成 6，7-二烷氧基-1，2，3，4-四氢异喹啉-8-烯丙基醚的工艺，以及利用 6，7-二烷氧基-3，4-二氢异喹啉-8-烯丙基醚制备 6，7-二烷氧基-1，2，3，4-四氢异喹啉-8-烯丙基醚。. 根据本发明，可以通过 6, 7 - dialkoxy - 3, 4 - dihydroisoquinolin - 8 - ols 以高收率获得迄今为止难以合成的 6, 7 - dialkoxy - 1, 2, 3, 4 - tetrahydroisoquinolin - 8 - ols。