4-氯-2-苯基-5-哌嗪哒嗪-3(2h)-酮 | 153276-35-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-氯-2-苯基-5-哌嗪哒嗪-3(2h)-酮
• 中文别名: 4-氯-2-苯基-5-哌嗪-1-基-哒嗪-3-酮；4-氯-2-苯基-5-哌嗪-1-基哒嗪-3(2H)-酮
• 英文名称: 2-phenyl-4-chloro-5-(1-piperazinyl)-3(2H)-pyridazinone
• 英文别名: 4-Chlor-2-phenyl-5-piperazin-1-yl-pyridazin-3-on；4-chloro-2-phenyl-5-piperazin-1-yl-2H-pyridazin-3-one；4-chloro-2-phenyl-5-(piperazin-1-yl)pyridazin-3(2H)-one；4-chloro-2-phenyl-5-piperazin-1-ylpyridazin-3-one
• CAS: 153276-35-8
• 化学式: C₁₄H₁₅ClN₄O
• mdl: MFCD02180510
• 分子量: 290.752
• InChiKey: YPCRZRLLNDTCOR-UHFFFAOYSA-N

物化性质

• 沸点：
  403.1±55.0 °C(Predicted)
• 密度：
  1.38±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  愈创木酚 2-氯乙基醚 、 4-氯-2-苯基-5-哌嗪哒嗪-3(2h)-酮 在 sodium carbonate 作用下， 以 异戊醇 为溶剂， 以40%的产率得到2-phenyl-4-chloro-5-<4-(2-methoxyphenoxyethyl)-1-piperazinyl>-3(2H)-pyridazinone
  参考文献：
  名称：

  New pyridazinones: synthesis and correlation between structure and α-blocking activity

  摘要：

  The synthesis of a series of 5-(4-piperazinyl)-3(2H)-pyridazinone has been reported. The blocking activity of these compounds was determined on the pre- and postsynaptic alpha-adrenoreceptors of isolated rat vas deferens.

  DOI：

  10.1016/0223-5234(93)90097-x
• 作为产物：
  描述：

  哌嗪 、 1-苯基-4,5-二氯-6-哒酮 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以50%的产率得到4-氯-2-苯基-5-哌嗪哒嗪-3(2h)-酮
  参考文献：
  名称：

  New pyridazinones: synthesis and correlation between structure and α-blocking activity

  摘要：

  The synthesis of a series of 5-(4-piperazinyl)-3(2H)-pyridazinone has been reported. The blocking activity of these compounds was determined on the pre- and postsynaptic alpha-adrenoreceptors of isolated rat vas deferens.

  DOI：

  10.1016/0223-5234(93)90097-x

文献信息

• Piperazino-derivatives and their use as pde4 inhibitor
  申请人：——

  公开号：US20040132721A1

  公开（公告）日：2004-07-08

  The compounds of formula I, in which R1, R2, R3, A, X, s and R9 have the meanings as given in the description are novel effecfive PDE4 inhibitors.

  式I的化合物，其中R1、R2、R3、A、X、s和R9的含义如描述中所给，是新颖有效的PDE4抑制剂。
• Phthalazinone derivatives
  申请人：KUDOS PHARMACEUTICALS LIMITED

  公开号：US10449192B2

  公开（公告）日：2019-10-22

  Compounds of the formula (I): wherein A and B together represent an optionally substituted, fused aromatic ring; X can be NRX or CRXRY; if X═NRX then n is 1 or 2 and if X═CRXRY then n is 1; RX is selected from the group consisting of H, optionally substituted C1-20 alkyl, C5-20 aryl, C3-20 heterocyclyl, amido, thioamido, ester, acyl, and sulfonyl groups; RY is selected from H, hydroxy, amino; or RX and RY may together form a spiro-C3-7 cycloalkyl or heterocyclyl group; RC1 and RC2 are both hydrogen, or when X is CRXRY, RC1, RC2, RX and RY, together with the carbon atoms to which they are attached, may form an optionally substituted fused aromatic ring; and R1 is selected from H and halo.

  式 (I) 的化合物： 其中 A 和 B 一起代表任选取代的融合芳环；X 可以是 NRX 或 CRXRY；如果 X═NRX，则 n 为 1 或 2，如果 X═CRXRY，则 n 为 1；RX 选自 H、任选取代的 C1-20 烷基、C5-20 芳基、C3-20 杂环基、氨基、硫氨基、酯、酰基和磺酰基组成的基团；RY 选自 H、羟基、氨基；或 RX 和 RY 可共同形成螺环-C3-7 环烷基或杂环烷基；RC1 和 RC2 均为氢，或当 X 为 CRXRY 时，RC1、RC2、RX 和 RY 连同它们所连接的碳原子可形成任选取代的融合芳环；以及 R1 选自 H 和卤素。
• EP1385838A1
  申请人：——

  公开号：EP1385838A1

  公开（公告）日：2004-02-04
• PHTHALAZINONE DERIVATIVES
  申请人：KUDOS PHARMACEUTICALS LIMITED

  公开号：US20170226124A1

  公开（公告）日：2017-08-10

  Compounds of the formula (I): wherein A and B together represent an optionally substituted, fused aromatic ring; X can be NR X or CR X R Y ; if X=NR X then n is 1 or 2 and if X=CR X R Y then n is 1; R X is selected from the group consisting of H, optionally substituted C 1-20 alkyl, C 5-20 aryl, C 3-20 heterocyclyl, amido, thioamido, ester, acyl, and sulfonyl groups; R Y is selected from H, hydroxy, amino; or R X and R Y may together form a spiro-C 3-7 cycloalkyl or heterocyclyl group; R C1 and R C2 are both hydrogen, or when X is CR X R Y , R C1 , R C2 , R X and R Y , together with the carbon atoms to which they are attached, may form an optionally substituted fused aromatic ring; and R 1 is selected from H and halo.
• US7022696B2
  申请人：——

  公开号：US7022696B2

  公开（公告）日：2006-04-04