bis(4-chloropyrazol-1-yl)methane | 194537-19-4

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: bis(4-chloropyrazol-1-yl)methane
• 英文别名: 4-Chloro-1-[(4-chloro-1H-pyrazol-1-YL)methyl]-1H-pyrazole；4-chloro-1-[(4-chloropyrazol-1-yl)methyl]pyrazole
• CAS: 194537-19-4
• 化学式: C₇H₆Cl₂N₄
• 分子量: 217.057
• InChiKey: ZSLXWIMWPOCFKU-UHFFFAOYSA-N

物化性质

• 沸点：
  362.7±27.0 °C(Predicted)
• 密度：
  1.57±0.1 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：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis(4-chloropyrazol-1-yl)methane 、 molybdenum hexacarbonyl 以 四氢呋喃 、 乙二醇二甲醚 为溶剂， 以53%的产率得到(bis(4-chloropyrazol-1-yl)methane)tetracarbonylmolybdenum(0)
  参考文献：
  名称：

  含双（4-卤并吡唑-1-基）烷烃的VIB羰基配合物的合成，结构和电化学性能

  摘要：

  摘要双（4-卤吡唑-1-基）烷烃（1 =双（4-溴吡唑-1-基）甲烷CH2（4-BrPz）2，2 =双（3,5-二甲基-4-溴吡唑-1- yl）甲烷CH2（3,5-Me2-4-BrPz）2，3 =双（4-氯吡唑-1-基）甲烷CH2（4-ClPz）2，4 =双（3,5-二甲基-4-氯吡唑-1-基甲烷CH2（3,5-Me2-4-ClPz）2）是通过双（吡唑-1-基）甲烷或双（3,5-二甲基吡唑-1-基）反应合成的甲烷）与Br2或SO2Cl2。这些配体与M（CO）6（M = Cr，Mo，W）反应，以合理的产率生成双（4-卤吡唑-1-基）甲烷四羰基铬（0），钼（0）和钨（0）配合物。对于钨配合物，所有新化合物均已通过元素分析，IR，1H NMR和13C NMR进行了表征。通过循环伏安图研究的这些配合物的电化学性质表明，每种化合物均显示出一个与单电子氧化相对应的可逆或准可逆对。X射线晶体学测定的CH2（3

  DOI：

  10.1016/s0277-5387(99)00142-4

文献信息

• Synthesis and characterization of bidentate organotin Lewis acid derivatives containing bis(pyrazol-1-yl)alkanes: X-ray crystal structure of PhBr2(L)SnCH2SnPhBr2 (L=bis(4-chloropyrazol-1-yl)methane)
  作者：Zhi-Hong Wang、Liang-Fu Tang、Wen-Li Jia、Ji-Tao Wang、Hong-Gen Wang

  DOI：10.1016/s0277-5387(02)00863-x

  日期：2002.4

  The reaction between bis(dibromophenylstannyl)methane, [CH2(SnPhBr2)(2)], with bis(pyrazol-1-yl)alkanes, [(CH2)(n)Pz(2)] (n = 1 or 2; Pz = substituted pyrazole) in a 1: 1 or 1:2 ratio yields only 1: 1 adducts of PhBr2[(CH2)(n)Pz(2)]SnCH2SnPhBr2, which have been confirmed by elemental analysis, H-1 NMR and IR spectroscopy. The electronic and steric characteristics of substituents on the pyrazole rings markedly influence the donating ability of bis(pyrazol-1-yl)alkanes to the bidentate organotin Lewis acid acceptor. The investigations on the reaction of the adducts with DMSO and NMR spectra of the adducts show the weak interactions between ligands and the bidentate organotin Lewis acid acceptor. X-Ray analysis of PhBr2(CH2(4-ClPZ)(2))SnCH2SnPhBr2 showed that bis(4-chloropyrazol-1-yl)methane acts as a chelating bidentate ligand to only one tin atom. (C) 2002 Elsevier Science Ltd. All rights reserved.
• Zinc(II), cadmium(II) and mercury(II) derivatives of bis(4-halopyrazol-1-yl)alkanes: synthesis, spectroscopic characterization and behaviour in solution
  作者：C. Pettinari、A. Lorenzotti、M. Pellei、C. Santini

  DOI：10.1016/s0277-5387(97)00089-2

  日期：1997.1

  The interaction between various bis(4-halopyrazol-1-yl)alkanes L (L* = bis(3,5-dimethyl-4-chloropyrazol-1 -yl)methane, L# = bis(4-bromopyrazol-1-yl)methane, L degrees = bis(4-chloropyrazol-1-yl)methane) and zinc(II), cadmium(II) and mercury(II) accepters gave 1:1 [LMX2] (L = L*, M = Zn, X = Cl, Br, I, NO3 or CF3CO2; L = L*, M = Cd, X = Cl Or Br; L I L*, M = Hg, X = Cl, Br or I; L = L#, Fvl = Zn, X = Cl, Br, I or NO,; L = L#, M = Cd, X = Cl, Br, I or NO3; L = L#, M = Hg, X = Cl or Br; L = L#, M = Zn, X = Cl, M = Cd, X = I, M = Hg, X = Br), 3:2 [(L*)(3)(Zn(CF3SO3)(2)}(2)].3H(2)O and [(L*)(3)(Cd(NO3)(2)}(2)].2H(2)O, 2: 1 [L,M]X, (L = L*, M = Zn or Cd, X = ClO4 or BF4; L = L*, M = Hg, X - ClO4; L = L#, M = Zn, X = ClO4 or CF3SO3, M = Cd, X = ClO4 or BF4; L degrees = L*, M = Cd, X = BF4) and finally 3:1 [(L#)(3)Zn](BF4)(2) adducts; these derivatives have been characterized through elemental analyses, spectral data (IR, H-1 and C-13 NMR in the case of the sufficiently soluble derivatives), conductivities and molecular weight measurements. Comparison is made with the results obtained with other bis(pyrazol-1-yl)alkanes. (C) 1997 Elsevier Science Ltd.
• Synthesis, structures and electrochemical properties of VIB carbonyl complexes containing bis(4-halopyrazol-1-yl)alkanes
  作者：Liang-Fu Tang、Zhi-Hong Wang、Yu-Ming Xu、Ji-Tao Wang、Hong-Gen Wang、Xin-Kan Yao

  DOI：10.1016/s0277-5387(99)00142-4

  日期：1999.7

  Abstract Bis(4-halopyrazol-1-yl)alkanes (1=bis(4-bromopyrazol-1-yl)methane CH2(4-BrPz)2, 2=bis(3,5-dimethyl-4-bromopyrazol-1-yl)methane CH2(3,5-Me2-4-BrPz)2, 3=bis(4-chloropyrazol-1-yl)methane CH2(4-ClPz)2, 4=bis(3,5-dimethyl-4-chloro-pyrazol-1-yl)methane CH2(3,5-Me2-4-ClPz)2) have been synthesized by the reaction of bis(pyrazol-1-yl)methane or bis(3,5-dimethylpyrazol-1-yl)methane with Br2 or SO2Cl2

  摘要双（4-卤吡唑-1-基）烷烃（1 =双（4-溴吡唑-1-基）甲烷CH2（4-BrPz）2，2 =双（3,5-二甲基-4-溴吡唑-1- yl）甲烷CH2（3,5-Me2-4-BrPz）2，3 =双（4-氯吡唑-1-基）甲烷CH2（4-ClPz）2，4 =双（3,5-二甲基-4-氯吡唑-1-基甲烷CH2（3,5-Me2-4-ClPz）2）是通过双（吡唑-1-基）甲烷或双（3,5-二甲基吡唑-1-基）反应合成的甲烷）与Br2或SO2Cl2。这些配体与M（CO）6（M = Cr，Mo，W）反应，以合理的产率生成双（4-卤吡唑-1-基）甲烷四羰基铬（0），钼（0）和钨（0）配合物。对于钨配合物，所有新化合物均已通过元素分析，IR，1H NMR和13C NMR进行了表征。通过循环伏安图研究的这些配合物的电化学性质表明，每种化合物均显示出一个与单电子氧化相对应的可逆或准可逆对。X射线晶体学测定的CH2（3