1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane | 1223438-10-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane
• 英文别名: 2-Methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)propyl]-1,10-phenanthroline；2-methyl-9-[3-(9-methyl-1,10-phenanthrolin-2-yl)propyl]-1,10-phenanthroline
• CAS: 1223438-10-5
• 化学式: C₂₉H₂₄N₄
• 分子量: 428.536
• InChiKey: RMJCRBBBPVONIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tetrakis(acetonitrile)copper(I) perchlorate 、 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane 以 not given 为溶剂， 生成 [Cu(1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane)OClO3](ClO4)
  参考文献：
  名称：

  Unfolding of the [Cu₂(1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane)₂]²⁺ Helicate. Coupling of the Chlorocarbon Dehalogenation to the Unfolding Process

  摘要：

  A new helical dimeric copper(I) complex [Cu-2(mphenpr)(2)](ClO4)(2) where mphenpr is 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane has been prepared and characterized by X-ray crystallography and NMR In the solid state, the metal centers are 6.42 angstrom apart, and the electronic structure has been investigated with use of density functional theory (OFT) calculations. In solution the dimer equilibrates with a monomeric form [Cu(mphenpr)](ClO4), and the mechanism of unfolding of the dimer into monomer has been studied In the presence of CCl4, formation of the monomer is coupled to the reductive dehalogenation of the halocarbon. The mechanism of this process has been probed by the study of short-lived potential reaction intermediates using fast kinetic pulse radiolysis techniques and comparisons with DFT calculations The copper(II) product [Cu(mphenpr)CI](ClO4) and an analogue [Cu(mphenpr)](ClO4)(2) have been isolated and characterized by X-ray crystallography.

  DOI：

  10.1021/ic9018986
• 作为产物：
  描述：

  新铜试剂 、 二碘甲烷 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 水 为溶剂， 以63%的产率得到1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane
  参考文献：
  名称：

  Unfolding of the [Cu₂(1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane)₂]²⁺ Helicate. Coupling of the Chlorocarbon Dehalogenation to the Unfolding Process

  摘要：

  A new helical dimeric copper(I) complex [Cu-2(mphenpr)(2)](ClO4)(2) where mphenpr is 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane has been prepared and characterized by X-ray crystallography and NMR In the solid state, the metal centers are 6.42 angstrom apart, and the electronic structure has been investigated with use of density functional theory (OFT) calculations. In solution the dimer equilibrates with a monomeric form [Cu(mphenpr)](ClO4), and the mechanism of unfolding of the dimer into monomer has been studied In the presence of CCl4, formation of the monomer is coupled to the reductive dehalogenation of the halocarbon. The mechanism of this process has been probed by the study of short-lived potential reaction intermediates using fast kinetic pulse radiolysis techniques and comparisons with DFT calculations The copper(II) product [Cu(mphenpr)CI](ClO4) and an analogue [Cu(mphenpr)](ClO4)(2) have been isolated and characterized by X-ray crystallography.

  DOI：

  10.1021/ic9018986

文献信息

• [EN] NOVEL MICROBIOCIDES<br/>[FR] NOUVEAUX MICROBIOCIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2013026866A2

  公开（公告）日：2013-02-28

  The present invention relates to methods of controlling or preventing phytopathogenic diseases on useful plants or on propagation material thereof comprising applying to useful plants, the locus thereof or propagation material thereof a compound of formula (I) wherein Q, Q', L1, L2, L3, L4, L5, L6 and X are as defined in claim 1. The invention also relates to novel compounds that may be used in said methods, as well as intermediates useful for the preparation of the novel compounds.
• Unfolding of the [Cu₂(1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane)₂]²⁺ Helicate. Coupling of the Chlorocarbon Dehalogenation to the Unfolding Process
  作者：L. Lemus、J. Guerrero、J. Costamagna、G. Estiu、G. Ferraudi、A. Graham Lappin、A. Oliver、B. C. Noll

  DOI：10.1021/ic9018986

  日期：2010.5.3

  A new helical dimeric copper(I) complex [Cu-2(mphenpr)(2)](ClO4)(2) where mphenpr is 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane has been prepared and characterized by X-ray crystallography and NMR In the solid state, the metal centers are 6.42 angstrom apart, and the electronic structure has been investigated with use of density functional theory (OFT) calculations. In solution the dimer equilibrates with a monomeric form [Cu(mphenpr)](ClO4), and the mechanism of unfolding of the dimer into monomer has been studied In the presence of CCl4, formation of the monomer is coupled to the reductive dehalogenation of the halocarbon. The mechanism of this process has been probed by the study of short-lived potential reaction intermediates using fast kinetic pulse radiolysis techniques and comparisons with DFT calculations The copper(II) product [Cu(mphenpr)CI](ClO4) and an analogue [Cu(mphenpr)](ClO4)(2) have been isolated and characterized by X-ray crystallography.