7-Iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline | 870994-32-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 7-Iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
• CAS: 870994-32-4
• 化学式: C₁₀H₉F₃IN
• 分子量: 327.088
• InChiKey: ZWIATUJDNLOZGA-UHFFFAOYSA-N

物化性质

• 沸点：
  301.2±42.0 °C(Predicted)
• 密度：
  1.745±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-Iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline 生成 (R)-7-iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline 、 (S)-7-iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Inhibitors of phenylethanolamine N-methyltransferase devoid of α2-adrenoceptor affinity

  摘要：

  A series of 3-trifluoromethyl-1,2,3,4-tetrahydroisoquinolines was synthesized and evaluated for their phenylethanolamine N-methyltransferase (PNMT) inhibitory potency and affinity for the alpha(2)-adrenoceptor. Although their PNMT inhibitory potency decreased compared with corresponding 3-methyl-, 3-hydroxymethyl- or 3-unsubstituted-THIQs, some of them showed good selectivity due to their extremely low a2-adrenoceptor affinity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.033
• 作为产物：
  描述：

  2-氨基-3-苯基-1,1,1-三氟丙烷 在 吡啶 、 盐酸 、 platinum(IV) oxide 、 硼烷四氢呋喃络合物 、 硫酸 、 氢气 、 四氯化锡 、 potassium nitrate 、 sodium nitrite 、 三氯氧磷 作用下， 以 四氢呋喃 、 甲醇 、 氯仿 为溶剂， 生成 7-Iodo-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
  参考文献：
  名称：

  Inhibitors of phenylethanolamine N-methyltransferase devoid of α2-adrenoceptor affinity

  摘要：

  A series of 3-trifluoromethyl-1,2,3,4-tetrahydroisoquinolines was synthesized and evaluated for their phenylethanolamine N-methyltransferase (PNMT) inhibitory potency and affinity for the alpha(2)-adrenoceptor. Although their PNMT inhibitory potency decreased compared with corresponding 3-methyl-, 3-hydroxymethyl- or 3-unsubstituted-THIQs, some of them showed good selectivity due to their extremely low a2-adrenoceptor affinity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.033

文献信息

• Inhibitors of phenylethanolamine N-methyltransferase devoid of α2-adrenoceptor affinity
  作者：Gary L. Grunewald、Jian Lu、Kevin R. Criscione、Cosmas O. Okoro

  DOI：10.1016/j.bmcl.2005.08.033

  日期：2005.12

  A series of 3-trifluoromethyl-1,2,3,4-tetrahydroisoquinolines was synthesized and evaluated for their phenylethanolamine N-methyltransferase (PNMT) inhibitory potency and affinity for the alpha(2)-adrenoceptor. Although their PNMT inhibitory potency decreased compared with corresponding 3-methyl-, 3-hydroxymethyl- or 3-unsubstituted-THIQs, some of them showed good selectivity due to their extremely low a2-adrenoceptor affinity. (c) 2005 Elsevier Ltd. All rights reserved.