(HNC4H3-2-CH=N(CH2)3)2NMe | 129176-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: (HNC4H3-2-CH=N(CH2)3)2NMe
• 英文别名: 1,11-Bis(2-pyrrolyl)-6-methyl-2,6,10-triazaundeca-1,10-diene；N-methyl-3-(1H-pyrrol-2-ylmethylideneamino)-N-[3-(1H-pyrrol-2-ylmethylideneamino)propyl]propan-1-amine
• CAS: 129176-89-2
• 化学式: C₁₇H₂₅N₅
• 分子量: 299.419
• InChiKey: BPGBRSMHRYEHAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  59.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  nickel(II) perchlorate hexahydrate 、 (HNC4H3-2-CH=N(CH2)3)2NMe 在 triethylamine 作用下， 以 甲醇 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Coordination of Schiff bases derived from pyrrole-2-carboxaldehyde and triamines to copper(II) and nickel(II) ions. Crystal structures of [Cu(C15H20N5)]NO3 and [Ni(C15H20N5)]ClO4

  摘要：

  The Schiff bases 1,9-bis(2-pyrrolyl)-2,5,8-triazanona-1,8-diene (H-2L1). 1,10-bis(2-pyrrolyl)-2,5,9-triazaundeca-1,9-diene (H-2L2), and 1,11-bis(2-pyrrolyl)-6-methyl-2,6,10-triazaundeca-1,10-diene (H-2L4) react with copper(II) nitrate or nickel(II) perchlorate in the presence of triethylamine to give new complexes [Cu(HL1,2,4)]NO3 and [Ni(HL1,2,4)]ClO4. The crystal structures of [Cu(HL2)]NO3 and [Ni(HL2)]CIO4 have been determined from single crystal diffractometer data and refined to final R factors of 5.09 and 5.3 %, respectively. Crystallographic data: [Cu(HL2)]NO3: monoclinic, P2(1)/c, a = 10.036(2), b = 14.500(2), c = 13.317(2) angstrom, beta = 108.14(1)-degrees, Z = 4, and d(c) = 11.427 Mg m-3; [Ni(HL2)]ClO4: monoclinic, P2(1)/n, a = 10.578(3), b = 13.953(3), c = 12.394(4) angstrom, beta = 93.78(2)-degrees, Z = 4, and d(c) = 1.549 Mg m-3. In both the structures the potentially pentadentate ligand (HL2)- acts as a tetradentate one leaving one pyrrole group uncoordinated. Interesting is the metal dependent sequence of the three chelate rings. While the Ni(II) ion coordinates the (HL2)- ligand to form a 5-5-6-membered ring system, the ring arrangement in the copper complex is of the 5-6-5 type.

  DOI：

  10.1007/bf01182521

文献信息

• Incomplete coordination to rhenium(V) by a facultative quinquedentate ligand. The x-ray crystal structure of [ReO(OMe){2′-(NC4H3-2-CHN(CH2)3NMe(Ch2)3CHN)C4H3NH}]PF6
  作者：Hilary J. Banbery、Ferida S. McQuillan、Thomas A. Hamor、Christopher J. Jones、Jon A. McCleverty

  DOI：10.1016/s0277-5387(00)86242-7

  日期：1990.1