3,5-dimethyl,N,N-dibutyl, carbamoyl methyl pyrazole | 949085-57-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,5-dimethyl,N,N-dibutyl, carbamoyl methyl pyrazole
• 英文别名: N,N-dibutyl-2-(3,5-dimethylpyrazol-1-yl)acetamide
• CAS: 949085-57-8
• 化学式: C₁₅H₂₇N₃O
• 分子量: 265.399
• InChiKey: UFSGVUVIOYOMOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  uranyl nirate hexahydrate 、 3,5-dimethyl,N,N-dibutyl, carbamoyl methyl pyrazole 以 氯仿 为溶剂， 以91%的产率得到[UO2(nitrate)2(3,5-dimethyl,N,N-dibutyl, carbamoyl methylpyrazole)]
  参考文献：
  名称：

  Coordination and extraction studies of an unexplored bi-functional ligand, carbamoyl methyl pyrazole (CMPz) with uranium(VI), lanthanum(III) and cerium(III) nitrates

  摘要：

  The bi-functional carbamoyl methyl pyrazole ligands, C5H7N2CH2CONBu2 (L-1), (C5H7N2CH2CONBu2)-Bu-i (L-2), C3H3N2CH2CONBu2 (L-3), (C3H3N2CH2CONBu2)-Bu-i (L-4) and C5H7N2CH2CON(C8H17)(2) (L-5) were synthesized and characterized by spectroscopic and elemental analysis methods. The selected coordination chemistry of L-1 to L-4 with [UO2(NO3)(2)center dot 6H(2)O], [La(NO3)(3)center dot 6H(2)O] and [Ce(NO3)(3)center dot 6H(2)O] has been evaluated. Structures for the compounds [UO2(NO3)(2) C5H7N2CH2CONBu2] (6) [UO2(NO3)(2) (C5H7N2CHCONBu2)-Bu-i] (7) and [Ce(NO3)(3){C(3)H(3)N(2)CH(2)CON(i)Bu2}(2)] (11) have been determined by single crystal X-ray diffraction methods. Preliminary extraction studies of the ligand L-5 with U(VI) and Pu(IV) in tracer level showed an appreciable extraction for U(VI) and Pu(TV) up to 10 M HNO3 but not for Am(III). Thermal studies of the compounds 6 and 7 in air revealed that the ligands can be destroyed completely on incineration. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.04.005

文献信息

• Synthesis and characterization of carbamoyl methyl pyrazole(CMPz) compounds of palladium(II) chloride: The crystal and molecular structure of [PdCl2{C3H3N2CH2CONiBu2}2]
  作者：Shanmugaperumal Kannan、Michael G.B. Drew

  DOI：10.1016/j.ica.2007.05.036

  日期：2007.8

  Carbamoyl methyl pyrazole compound of palladium(II) chloride of the type [PdCl2L2] (where L = C5H7N2CH2CON(C4H9)(2), C5H7N2CH2CON((C4H9)-C-i)(2), C3H3N2CH2CON(C4H9)(2), or C3H3N2CH2CON((C4H9)-C-i)(2)) has been synthesized and characterized by IR and H-1 NMR spectroscopy. The structure of the compound [PdCl2(C3H3N2CH2CONBu2}2)-Bu-i] has been determined by single crystal X-ray diffraction and shows that the ligands are bonded through the soft pyrazolyl nitrogen atom to the palladium(II) chloride in a trans disposition. (c) 2007 Elsevier B.V. All rights reserved.