1-phenyl-1,4,5,6-tetrahydropyridazin-3(2H)-one | 7190-52-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-phenyl-1,4,5,6-tetrahydropyridazin-3(2H)-one
• 英文别名: N-phenyltetrahydro-3-pyridazinone；1,4,5,6-tetrahydro-1-phenylpyridazin-3(2H)-one；1-phenyltetrahydropyridazin-3(2H)-one；1-Phenyl-3-oxohexahydropyridazin；1-phenyl-tetrahydro-pyridazin-3-one；A-53612；1-phenyldiazinan-3-one
• CAS: 7190-52-5
• 化学式: C₁₀H₁₂N₂O
• 分子量: 176.218
• InChiKey: XHYBFCBDMIPDON-UHFFFAOYSA-N

物化性质

• 熔点：
  130-131 °C
• 密度：
  1.142±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-phenyl-1,4,5,6-tetrahydropyridazin-3(2H)-one 在 四(三苯基膦)钯 sodium carbonate 、 三氯氧磷 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 0.08h， 生成 4-(苯基氨基)丁腈
  参考文献：
  名称：

  Microwave-assisted cross-coupling of 3-chloro-2-pyrazolines and 3-chloro-1-phenyl-1,4,5,6-tetrahydropyridazine with aryl boronic acids

  摘要：

  3-Chloro-l-phenyl-2-pyrazoliiie and 3-chloo-1-phenyl-1,4,5,6-tetrahydropyridazine were coupled with aryl boronic acids in good yields under microwave heating conditions (140 degrees C, 5 min). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.02.075
• 作为产物：
  描述：

  1-苯基-2-吡咯烷酮 在 盐酸 、 sodium acetate 、 四氯化钛 、 magnesium 、 sodium nitrite 作用下， 以 乙醚 、 二氯甲烷 、 水 为溶剂， 反应 27.5h， 生成 1-phenyl-1,4,5,6-tetrahydropyridazin-3(2H)-one
  参考文献：
  名称：

  Preparation of N-arylamino-2-pyrrolidones from arylhydrazides of ?-chlorobutyric acid

  摘要：

  DOI：

  10.1007/bf00546732

文献信息

• Substituted monocyclic CGRP receptor antagonists
  申请人：Wood Michael R.

  公开号：US20070265225A1

  公开（公告）日：2007-11-15

  Compounds of formula I: (wherein variables A 1 , A 2 , A 3 , A 4 , m, n, J, Q, R 4 , E a , E b , E c , R 6 , R 7 , R e , R f , R PG and Y are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  式I的化合物：(其中变量A1、A2、A3、A4、m、n、J、Q、R4、Ea、Eb、Ec、R6、R7、Re、Rf、RPG和Y如本文所述)是CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及CGRP的疾病中使用这些化合物和组合物。
• Catalytic System‐Controlled Divergent Reaction Strategies for the Construction of Diversified Spiropyrazolone Skeletons from Pyrazolidinones and Diazopyrazolones
  作者：Feifei Fang、Shulei Hu、Chunpu Li、Qian Wang、Run Wang、Xu Han、Yu Zhou、Hong Liu

  DOI：10.1002/anie.202105857

  日期：2021.9.20

  system-controlled divergent reaction strategy was here reported to construct four types of intriguing spiroheterocyclic skeletons from simple and readily available starting materials via a precise chemical bond activation/[n+1] annulation cascade. The tetraazaspiroheterocyclic and trizazspiroheterocyclic scaffolds could be independently constructed by a selective N−N bond activation/[n+1] annulation cascade, a C(sp2)-H

  本文报道了一种催化系统控制的发散反应策略，通过精确的化学键活化/[ n +1] 环化级联，从简单易得的起始材料构建四种有趣的螺杂环骨架。四氮杂螺杂环和三氮杂螺杂环支架可以通过选择性 NN 键激活/[ n +1] 环化级联、C(sp 2 )-H 激活/[4+1] 环化和新型串联 C(sp 2 )-H/C(sp 3)−H 键活化/[4+1] 环化策略，以及广泛的底物、中等至优异的产率和有价值的转化。更重要的是，在这些转化中，我们首次捕捉到了不同催化体系下吡唑烷酮的 NN键活化和 C(sp 3 )-H 键活化。
• SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS
  申请人：Wood Michael R.

  公开号：US20100056498A1

  公开（公告）日：2010-03-04

  Compounds of formula I: (wherein variables A 1 , A 2 , A 3 , A 4 , m, n, J, Q, R 4 , E a , E b , E c , R 6 , R 7 , R e , R f , R PG and Y are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  式I的化合物：（其中变量A1，A2，A3，A4，m，n，J，Q，R4，Ea，Eb，Ec，R6，R7，Re，Rf，RPG和Y如本文所述）是CGRP受体拮抗剂，可用于治疗或预防CGRP参与的疾病，如偏头痛。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗CGRP参与的这些疾病中的应用。
• Pyridazinone, triazinone and oxapyridazinone lipoxygenase inhibiting compounds
  申请人：ABBOTT LABORATORIES

  公开号：EP0299449A2

  公开（公告）日：1989-01-18

  Pyridazinone, triazinone and oxapyridazinone compounds which are useful in inhibting lipoxygenase enzymes, particularly 5-lipoxygenase.

  可抑制脂氧合酶，特别是 5-脂氧合酶的哒嗪酮、三嗪酮和噁哒嗪酮化合物。
• A Convenient Synthesis of 1-Aryl- and 1-Alkyl-1,4,5,6-tetrahydropyridazin-3(2H)-ones
  作者：Ki-Jun Hwang、Ki-Jun Hwang、Kyung-Ho Park

  DOI：10.3987/com-92-6189

  日期：——

  Aryl- and alkylhydrazines react with readily available cyclopropane-dicarboxylate (2) in refluxing acetonitrile to afford the corresponding 1-substituted 1,4,5,6-tetrahydropyridazin-3(2H)-ones (5) directly via nitrogen-carbon bond formation, cyclization and decarboxylation of the cyclized intermediates.