1-(3-Chloro-phenyl)-5-furan-2-yl-3-trifluoromethyl-1H-pyrazole | 284463-58-7

• 英文名称: 1-(3-Chloro-phenyl)-5-furan-2-yl-3-trifluoromethyl-1H-pyrazole
• 英文别名: 1-(3-Chlorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
• CAS: 284463-58-7
• 化学式: C₁₄H₈ClF₃N₂O
• 分子量: 312.679
• InChiKey: HLZZKCNUEVJUSX-UHFFFAOYSA-N

物化性质

• 沸点：
  389.6±42.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  31
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(3-Chloro-phenyl)-5-furan-2-yl-3-trifluoromethyl-1H-pyrazole 在 吡啶 、 sodium hypochlorite 、 sodium chlorite 、 sodium dihydrogenphosphate 、 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034
• 作为产物：
  描述：

  4,4,4-三氟-1-(2-呋喃基)-1,3-丁二酮 、 间氯苯肼 在 sodium acetate 、 溶剂黄146 作用下， 生成 、 1-(3-Chloro-phenyl)-5-furan-2-yl-3-trifluoromethyl-1H-pyrazole
  参考文献：
  名称：

  Insecticidal anthranilic diamides: A new class of potent ryanodine receptor activators

  摘要：

  A novel class of anthranilic diamides has been discovered with exceptional insecticidal activity on a range of Lepidoptera. These compounds have been found to exhibit their action by release of intracellular Ca2+ stores mediated by the ryanodine receptor. The discovery, synthesis, structure-activity, and biological results are presented. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.034

文献信息

• Palladium-catalyzed cyanation reactions of aryl chlorides
  作者：Fuqiang Jin、Pat N Confalone

  DOI：10.1016/s0040-4039(00)00384-1

  日期：2000.4

  discovered an efficient cyanation of aryl chlorides which employs Pd2(dba)3, dppf and Zn as the catalyst and Zn(CN)2 as the cyanide source. Both electron-deficient and electron-rich aryl chlorides are effectively cyanated under these conditions. This discovery represents the first successful palladium-catalyzed cyanation of both electron-deficient and electron-rich aryl chlorides.

  我们发现使用Pd 2（dba）3，dppf和Zn作为催化剂和Zn（CN）2作为氰化物源的芳基氯化物的有效氰化。在这些条件下，缺电子的和富电子的芳基氯化物均被有效地氰化。这一发现代表了贫电子和富电子的芳基氯化物首次成功的钯催化氰化反应。