2-[(2-isopropylaminoethylimino)methyl]-4-nitrophenol | 1009629-45-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-[(2-isopropylaminoethylimino)methyl]-4-nitrophenol
• 英文别名: 4-nitro-2-[(isopropylaminoethylimino)methyl]phenol；4-nitro-2-[(2-isopropylaminoethylimino)methyl]phenol；4-Nitro-2-[2-(propan-2-ylamino)ethyliminomethyl]phenol
• CAS: 1009629-45-1
• 化学式: C₁₂H₁₇N₃O₃
• 分子量: 251.285
• InChiKey: BWMUGNQMEXFJSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  90.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  bis(acetylacetonate)oxovanadium 、 2-[(2-isopropylaminoethylimino)methyl]-4-nitrophenol 以 甲醇 为溶剂， 反应 0.5h， 以53%的产率得到
  参考文献：
  名称：

  HYDROGEN-BOND DIRECTED PREPARATION AND STRUCTURES OF DIOXOV ANADIUM COMPLEXES WITH TRIDENTATE SCHIFF BASES

  摘要：

  DOI：

  10.4067/s0717-97072013000200010
• 作为产物：
  描述：

  N-异丙基乙二胺 、 5-硝基水杨醛 以 甲醇 为溶剂， 以100%的产率得到2-[(2-isopropylaminoethylimino)methyl]-4-nitrophenol
  参考文献：
  名称：

  HYDROGEN-BOND DIRECTED PREPARATION AND STRUCTURES OF DIOXOV ANADIUM COMPLEXES WITH TRIDENTATE SCHIFF BASES

  摘要：

  DOI：

  10.4067/s0717-97072013000200010

文献信息

• Syntheses, Characterization, and Crystal Structures of Two Structurally Similar Schiff Base Nickel(II) Complexes
  作者：Hong‐Wei Lin

  DOI：10.1080/15533170701301629

  日期：2007.4.1

  Two new structurally similar mononuclear Schiff base nickel(II) complexes, [NiL12(NCS)2] (1) and [NiL22(NCS)2] (2) (L1=4‐nitro‐2‐[(2‐isopropylaminoethylimino)methyl]phenol, L2=2,4‐dichloro‐6‐[(2‐isopropylaminoethylimino)methyl]phenol), have been synthesized and characterized by elemental analysis, IR and single crystal X‐ray diffraction. The Ni atom in each of the complexes is six‐coordinated by two

  两个新的结构相似的单核席夫碱镍 (II) 配合物，[NiL12(NCS)2] (1) 和 [NiL22(NCS)2] (2) (L1=4-nitro-2-[(2-isopropylaminoethylimino)methyl ]苯酚，L2=2,4-二氯-6-[(2-异丙基氨基乙基亚氨基)甲基]苯酚)，已合成并通过元素分析、IR和单晶X射线衍射进行了表征。每个配合物中的Ni原子由来自两个席夫碱配体的两个亚胺N和两个酚盐O原子以及来自两个硫氰酸根阴离子的两个末端N原子六配位，形成八面体配位。用于制备与硝酸镍 (II) 的络合物的类似席夫碱可导致最终产品的类似结构。
• Synthesis, Characterization, and Crystal Structure of a Novel Acetato-bridged Trinuclear Cadmium(II) Complex with 4-Nitro-2-[(2-isopropylaminoethylimino)methyl]phenol
  作者：Rui-Hua Hui、Peng Zhou、Zhong-Lu You

  DOI：10.1080/15533174.2010.522647

  日期：2010.11.30

  A novel acetato-bridged centrosymmetric trinuclear Schiff base cadmium(II) complex, [CdCdL(2 - O, O'-CH3COO)(3 - O, O, O'-CH3COO)}2], where L is the deprotonated form of 4-nitro-2-[(2-isopropylaminoethylimino)methyl]phenol, has been synthesized and characterized by elemental analysis, IR spectrum, and single crystal X-ray diffraction. The acetate groups bridge adjacent Cd atoms through both 2 - O, O'-acetato and 3 - O, O, O'-acetato bridging modes. The Cd atoms adopt octahedral coordinations. The CdCd distance is 3.434(2) angstrom.
• Synthesis, Characterization, and Crystal Structure of an Azido-bridged Dinuclear Nickel(II) Complex Derived from 4-Nitro-2-[(2-isopropylaminoethylimino)methyl]phenol
  作者：He-Bing Li

  DOI：10.1080/15533170903324684

  日期：2009.10.30

  An azido-bridged dinuclear Schiff base nickel(II) complex with the formula [Ni2L2(N3)2(1,1-N3)2] (HL = 4-nitro-2-[(2-isopropylaminoethylimino)methyl]phenol) was prepared and structurally characterized by elemental analysis, IR spectrum and single crystal X-ray diffraction. The structure has a crystallographic inversion center at the midpoint of the two nickel atoms. Each NiII atom in the complex is in an octahedral coordination. The molecules in the crystal are linked through the intermolecular hydrogen bonds of N-H center dot center dot center dot O, C-H center dot center dot center dot O, and C-H center dot center dot center dot N, forming layers.