1H-Benzisochinolinon-(1) | 46250-59-3

• 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: 1H-Benzisochinolinon-(1)
• 英文别名: benzo[de]isoquinolin-1-one；Benz[de]isoquinolinone；benzo[de]isoquinolin-1-one
• CAS: 46250-59-3
• 化学式: C₁₂H₇NO
• 分子量: 181.194
• InChiKey: LJYKLCIKULCTDF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.4
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,3-二氢-1H-苯并[de]异喹啉 在 N-氯代丁二酰亚胺 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷-D2 为溶剂， 反应 0.92h， 生成 1H-Benzisochinolinon-(1)
  参考文献：
  名称：

  Synthesis, Characterization, and Coordination Chemistry of the 2-Azaphenalenyl Radical

  摘要：

  The 2-azaphenalenyl radical 2 has been synthesized and characterized by ESR spectroscopy. Variable-temperature ESR measurements were carried out on both the phenalenyl (1) and the 2-azaphenalenyl (2) radicals. The phenalenyl radical 1 has the known propensity to dimerize at temperatures below 20 C, but unexpectedly less so than originally reported. The first experimental measurement of bond dissociation enthalpy for the dimerization of the phenalenyl radical 1 was obtained in CCl4 (11.34 +/- 0.11 kcal/mol) and toluene (9.8 +/- 0.7 kcal/mol). The 2-azaphenalenyl radical 2 does not show a propensity to dimerize over the measurable temperature range (220-330 K), but does so in the presence of Cu(hfac)(2) (hfac = hexafluoroacetylacetonate). The latter complex was characterized by X-ray crystallography.

  DOI：

  10.1021/ja029236o

文献信息

• Processes for preparing palonosetron salts
  申请人：Rossetto Pierluigi

  公开号：US20080200681A1

  公开（公告）日：2008-08-21

  The present invention provides processes for preparing Palonosetron salts, especially, the hydrochloride salt and intermediates used to prepare Palonosetron salts.

  本发明提供了制备帕洛诺塞特盐的工艺，特别是制备帕洛诺塞特盐所使用的盐酸盐和中间体。
• Novel tricyclic compounds
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0457243A1

  公开（公告）日：1991-11-21

  Compounds of Formula I: in which    Z is an oxo group or two hydrogens;    X and Y are independently selected from hydrogen, halogen, hydroxy, lower alkoxy, benzyloxy, lower alkyl, lower cycloalkyl, nitro, amino, amino-carbonyl, (lower alkyl)amino, di(lower alkyl)amino and (lower alkanoyl)amino;    R¹ is selected from in which    p is 0 or 1;    n is 1, 2 or 3; and    R² is hydrogen, lower alkyl, C₃₋₈ cycloalkyl, C₃₋₈ cycloalkyl-C₁₋₂ alkyl, or a group (CH₂)tR³ where t is 1 or 2 and R³ is thienyl, pyrrolyl or furyl optionally further substituted by one or two substituents selected from lower alkyl, lower alkoxy, trifluoromethyl or halogen, or is phenyl optionally substituted by one or two substituents selected from C₁₋₄ alkoxy, trifluoromethyl, halogen, nitro, carboxy, esterified carboxy, and C₁₋₄ alkyl optionally substituted by hydroxy, C₁₋₄ alkoxy, carboxy, esterified carboxy or in vivo hydrolyzable acyloxy; or their pharmaceutically acceptable salts, or an individual isomer or mixture of isomers thereof, the processes for the preparation thereof, as well as compositions containing them and their methods of use.

  式 I 的化合物： 其中 Z 是一个氧代基团或两个氢； X 和 Y 独立选自氢、卤素、羟基、低级烷氧基、苄氧基、低级烷基、低级环烷基、硝基、氨基、氨基羰基、(低级烷基)氨基、二(低级烷基)氨基和(低级烷酰基)氨基； R¹ 选自 其中 p 是 0 或 1 n 是 1、2 或 3；以及 R² 是氢、低级烷基、C₃₋₈环烷基、C₃₋₈环烷基-C₁₋₂烷基或基团 (CH₂)tR³ 其中 t 是 1 或 2，R³ 是噻吩基、是噻吩基、吡咯基或呋喃基，可任选地被选自低级烷基、低级烷氧基、三氟甲基或卤素的一个或两个取代基进一步取代、或苯基，可任选被一个或两个选自 C₁₋₄烷氧基、三氟甲基、卤素、硝基、羧基、酯化羧基和 C₁₋₄烷氧基的取代基取代、C₁₋₄ 烷氧基、卤素、硝基、羧基、酯化羧基和 C₁₋₄ 烷基中任选被羟基、C₁₋₄ 烷氧基、羧基、酯化羧基或体内可水解的酰氧基取代；或它们的药学上可接受的盐，或它们的单个异构体或异构体混合物，它们的制备工艺，以及含有它们的组合物和它们的使用方法。
• Crystalline forms of palonosetron hydrochloride
  申请人：Sicor, Inc.

  公开号：EP2103612A1

  公开（公告）日：2009-09-23

  The present invention provides crystalline forms of Palonosetron hydrochloride, processes for their preparation and pharmaceutical compositions containing such crystalline forms of Palonosetron HCl.

  本发明提供盐酸帕洛诺司琼的结晶形式、其制备工艺以及含有盐酸帕洛诺司琼结晶形式的药物组合物。
• Use of palonosetron for treating post-operative nausea and vomiting
  申请人：Helsinn Healthcare S.A.

  公开号：EP2258367A2

  公开（公告）日：2010-12-08

  Methods are provided to treat post-operative nausea and vomiting, as well as emesis generally, with 5-HT3 receptor antagonists. In particular, the invention discloses methods for reducing post-operative nausea and vomiting and other emetic events with palonosetron.

  本发明提供了用 5-HT3 受体拮抗剂治疗术后恶心和呕吐以及一般催吐的方法。特别是，本发明公开了使用帕洛诺司琼减少术后恶心和呕吐以及其他催吐事件的方法。
• Method of treating post operative nausea and vomiting
  申请人：Baroni Luigi

  公开号：US20060074101A1

  公开（公告）日：2006-04-06

  Methods are provided to teat post-operative nausea and vomiting, as well as emeses generally, with 5-HT 3 receptor antagonists. In particular, the invention discloses methods for reducing post-operative nausea and vomiting and other emetic events with palonosetron.

  提供了用 5-HT 3 受体拮抗剂的方法。特别是，本发明公开了使用帕洛诺司琼减少术后恶心和呕吐以及其他催吐事件的方法。