2-bromo-1,3-bis((dimethylamino)methyl)-5-nitrobenzene | 153763-89-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-bromo-1,3-bis((dimethylamino)methyl)-5-nitrobenzene
• 英文别名: 1-[2-bromo-3-[(dimethylamino)methyl]-5-nitrophenyl]-N,N-dimethylmethanamine
• CAS: 153763-89-4
• 化学式: C₁₂H₁₈BrN₃O₂
• 分子量: 316.198
• InChiKey: HWTFZMLXCPJERP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  18.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  49.62
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-bromo-1,3-bis((dimethylamino)methyl)-5-nitrobenzene 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 以 甲苯 为溶剂， 以97%的产率得到[para-NO2-C6H2(CH2NMe2)2-2,6-pincer palladium(II)]Br
  参考文献：
  名称：

  Slagt, Martijn Q.; Klein Gebbink, Robertus J.M.; Lutz, Martin, Journal of the Chemical Society. Dalton Transactions (2001), 2002, # 13, p. 2591 - 2592

  摘要：

  DOI：

文献信息

• Electronic tuning of arylnickel(II) complexes by para substitution of the terdentate monoanionic 2,6-bis[(dimethylamino)methyl]phenyl ligand
  作者：Lucia A. van de Kuil、Henri Luitjes、David M. Grove、Jan W. Zwikker、Johannes G. M. van der Linden、Annie M. Roelofsen、Leonardus W. Jenneskens、Wiendelt Drenth、Gerard van Koten

  DOI：10.1021/om00014a020

  日期：1994.2

  Aryl bromides of the type BrC6H2(CH2NMe2)2-2,6-R-4 (R = NH2, MeO, H, Cl, MeC(O)) have been synthesized and have been used to prepare the corresponding organonickel(II) complexes [NiC6H2(CH2NMe2)2-2,6-R-4}Br] by an oxidative addition reaction to Ni0(COD)2 (COD = cycloocta-1,5-diene). The effect that the para substituent of the monoanionic, N,C,N' terdentate, aryl ligand has on the electronic properties of the nickel complexes has been investigated by C-13 NMR and UV/vis spectroscopy as well as by electrochemistry. The results show that para substitution on the aryl ligand markedly influences the nickel(II) center; electron-donating substituents increase the ease of oxidation to Ni(III), and direct correlations exist between chemical shift data for the carbon atom bonded to nickel and appropriate Hammett parameters.