HON=CH-4-C6H2(CH2NMe2)2-2,6-Br-1 | 1042420-05-2

• 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: HON=CH-4-C6H2(CH2NMe2)2-2,6-Br-1
• CAS: 1042420-05-2
• 化学式: C₁₃H₂₀BrN₃O
• 分子量: 314.225
• InChiKey: VLWSKVNOLTWVTI-VIZOYTHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 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：
  0.46
• 拓扑面积：
  39.07
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tris(dibenzylideneacetone)dipalladium(0) chloroform complex 、 HON=CH-4-C6H2(CH2NMe2)2-2,6-Br-1 以 四氢呋喃 、 苯 为溶剂， 以68%的产率得到[(HON=CH-4-C6H2(CH2NMe2)2-2,6)PdBr]
  参考文献：
  名称：

  Oxime-substituted NCN-pincer palladium and platinum halide polymers through non-covalent hydrogen bonding (NCN=[C6H2(CH2NMe2)2-2,6]−)

  摘要：

  The oxime-substituted NCN-pincer molecules HON=CH-1-C6H3(CH2NMe2)(2)-3,5 ( 2a) and HON=CH-4-C6H2( CH2NMe2)(2)-2,6-Br-1 ( 2b) were accessible by treatment of the benzaldehydes H(O)C-4-C6H3( CH2NMe2)(2)-3,5 (1a) and H(O)C-4-C6H2(CH2NMe2)(2)-2,6-Br-1 (1b) with an excess of hydroxylamine. In the solid state both compounds are forming polymers with intermolecular O-H center dot center dot center dot N connectivities between the Me2NCH2 substituents and the oxime entity of further molecules of 2a and 2b, respectively. Characteristic for 2a and 2b is a helically arrangement involving a crystallographic 21 screw axis of the HON=CH-1-C6H3(CH2NMe2)(2)-3,5 and HON=CH-4-C6H2(CH2NMe2)(2)-2,6-Br-1 building blocks. The reaction of 2b with equimolar amounts of [Pd-2(dba)(3)center dot CHCl3] ( 3) ( dba = dibenzylidene acetone) or [Pt(tol)(2)(SEt2)](2) (4) (tol=4-tolyl) gave by an oxidative addition of the C-Br unit to M coordination polymers with a [( HON=CH-4-C6H2(CH2NMe2)(2)-2,6)MBr] repeating unit (5:M = Pd, 6: M = Pt). Complexes 5 and 6 are in the solid state linear hydrogen-bridged polymers with O-H center dot center dot center dot Br contacts between the oxime entities and the metal-bonded bromide. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.03.020
• 作为产物：
  描述：

  4-Bromo-3,5-bis-dimethylaminomethyl-benzaldehyde 在 sodium hydroxide 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以79%的产率得到HON=CH-4-C6H2(CH2NMe2)2-2,6-Br-1
  参考文献：
  名称：

  Oxime-substituted NCN-pincer palladium and platinum halide polymers through non-covalent hydrogen bonding (NCN=[C6H2(CH2NMe2)2-2,6]−)

  摘要：

  The oxime-substituted NCN-pincer molecules HON=CH-1-C6H3(CH2NMe2)(2)-3,5 ( 2a) and HON=CH-4-C6H2( CH2NMe2)(2)-2,6-Br-1 ( 2b) were accessible by treatment of the benzaldehydes H(O)C-4-C6H3( CH2NMe2)(2)-3,5 (1a) and H(O)C-4-C6H2(CH2NMe2)(2)-2,6-Br-1 (1b) with an excess of hydroxylamine. In the solid state both compounds are forming polymers with intermolecular O-H center dot center dot center dot N connectivities between the Me2NCH2 substituents and the oxime entity of further molecules of 2a and 2b, respectively. Characteristic for 2a and 2b is a helically arrangement involving a crystallographic 21 screw axis of the HON=CH-1-C6H3(CH2NMe2)(2)-3,5 and HON=CH-4-C6H2(CH2NMe2)(2)-2,6-Br-1 building blocks. The reaction of 2b with equimolar amounts of [Pd-2(dba)(3)center dot CHCl3] ( 3) ( dba = dibenzylidene acetone) or [Pt(tol)(2)(SEt2)](2) (4) (tol=4-tolyl) gave by an oxidative addition of the C-Br unit to M coordination polymers with a [( HON=CH-4-C6H2(CH2NMe2)(2)-2,6)MBr] repeating unit (5:M = Pd, 6: M = Pt). Complexes 5 and 6 are in the solid state linear hydrogen-bridged polymers with O-H center dot center dot center dot Br contacts between the oxime entities and the metal-bonded bromide. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.03.020