N-aminopyridazinium hexafluorophosphate | 346412-97-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-aminopyridazinium hexafluorophosphate
• 英文别名: pyridazin-1-ium-1-amine;hexafluorophosphate
• CAS: 346412-97-3
• 化学式: C₄H₆N₃*F₆P
• 分子量: 241.076
• InChiKey: YLIHKLPWUYQMCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.47
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  1-(4-乙氧基苯基)-2-(4-甲磺酰基苯基)乙烷-1-酮 、 N-aminopyridazinium hexafluorophosphate 在 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 生成 (Z)-1-(4-ethoxyphenyl)-2-(4-methylsulfonylphenyl)-N-pyridazin-1-ium-1-ylethanimine
  参考文献：
  名称：

  Efficient synthesis of the selective COX-2 inhibitor GW406381X

  摘要：

  An efficient synthesis of the selective COX-2 inhibitor GW406381X is described via a novel intramolecular Mannich-type cyclisation to construct the pyrazolo-[1,5a]-pyridazine heterocyclic core. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.045
• 作为产物：
  描述：

  哒嗪 在 hydroxylamine-O-sulfonic acid 、 六氟磷酸钾 作用下， 以80%的产率得到N-aminopyridazinium hexafluorophosphate
  参考文献：
  名称：

  Efficient synthesis of the selective COX-2 inhibitor GW406381X

  摘要：

  An efficient synthesis of the selective COX-2 inhibitor GW406381X is described via a novel intramolecular Mannich-type cyclisation to construct the pyrazolo-[1,5a]-pyridazine heterocyclic core. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.12.045

文献信息

• Process for the preparation of pyrazolopyridine derivatives
  申请人：——

  公开号：US20030078267A1

  公开（公告）日：2003-04-24

  1 The invention provides a process for preparing a compound of formula (I) and pharmaceutically acceptable derivatives thereof in which: R 0 is halogen, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkoxy substituted by one or more fluorine atoms, or O(CH 2 ) n NR 4 R 5 ; R 1 and R 2 are independently selected from H, C 1-6 alkyl, C 1-6 alkyl substituted by one or more fluorine atoms, C 1-6 alkoxy C 1-6 hydroxyalkyl, SC 1-6 alkyl, C(O)H, C(O)C 1-6 alkyl, C 1-6 alkylsulphonyl, C 1-6 alkoxy substituted by one or more fluorine atoms, O(CH 2 ) n CO 2 C 1-6 alkyl, O(CH 2n SC 1-6 alkyl, (CH 2 ) n NR 4 R 5 , (CH 2 ) n SC 1-6 alkyl or C(O)NR 4 R 5 ; with the proviso that when R 0 is at the 4-position and is halogen, at least one of R 1 and R 2 is C 1-6 alkylsulphonyl, C 1-6 alkoxy substituted by one or more fluorine atoms, O(CH 2 ) n CO 2 C 1-6 alkyl, O(CH 2 ) n SC 1-6 alkyl, (CH 2 ) n NR 4 R 5 or (CH 2 ) n SC 1-6 alkyl, C(O)NR 4 R 5 ; R 3 is C 1-6 alkyl or NH 2 ; R 4 and R 5 are independently selected from H, or C 1-6 alkyl or, together with the nitrogen atom to which they are attached, form a 4-8 membered saturated ring; and n is 1-4; which comprises oxidizing a corresponding compound of formula (II) or an isomer thereof.

  本发明提供了一种制备式(I)化合物及其药学可接受衍生物的方法，其中：R0为卤素，C1-6烷基，C1-6烷氧基，C1-6烷氧基被一个或多个氟原子取代，或O(CH2)nNR4R5; R1和R2分别选自H，C1-6烷基，C1-6烷基被一个或多个氟原子取代，C1-6烷氧基，C1-6羟基烷基，SC1-6烷基，C（O）H，C（O）C1-6烷基，C1-6烷基磺酰基，C1-6烷氧基被一个或多个氟原子取代，O(CH2)nCO2C1-6烷基，O(CH2nSC1-6烷基，(CH2)nNR4R5，(CH2)nSC1-6烷基或C（O）NR4R5; 前提是当R0位于4位且为卤素时，R1和R2中至少有一个为C1-6烷基磺酰基，C1-6烷氧基被一个或多个氟原子取代，O(CH2)nCO2C1-6烷基，O(CH2)nSC1-6烷基，(CH2)nNR4R5或(CH2)nSC1-6烷基，C（O）NR4R5; R3为C1-6烷基或NH2; R4和R5分别选自H或C1-6烷基，或与它们连接的氮原子一起形成4-8成员饱和环; n为1-4;其中包括氧化式(II)化合物或其异构体的相应化合物。
• Efficient synthesis of the selective COX-2 inhibitor GW406381X
  作者：Andrew J. Whitehead、Richard A. Ward、Martin F. Jones

  DOI：10.1016/j.tetlet.2006.12.045

  日期：2007.2

  An efficient synthesis of the selective COX-2 inhibitor GW406381X is described via a novel intramolecular Mannich-type cyclisation to construct the pyrazolo-[1,5a]-pyridazine heterocyclic core. (c) 2006 Elsevier Ltd. All rights reserved.