N,N-bis(2-pyridylmethyl)amine-N'-(2-pyridylmethyl)acetamide | 770711-85-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N,N-bis(2-pyridylmethyl)amine-N'-(2-pyridylmethyl)acetamide
• 英文别名: N-(2-pyridylmethyl)-2-(bis(2-pyridylmethyl)-amine)-ethanamide；PcPy3H；2-[bis(pyridin-2-ylmethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
• CAS: 770711-85-8
• 化学式: C₂₀H₂₁N₅O
• 分子量: 347.42
• InChiKey: PVYRYIULCVPGFD-UHFFFAOYSA-N

物化性质

• 沸点：
  557.9±50.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  cobalt (II) perchlorate hexahydrate 、 N,N-bis(2-pyridylmethyl)amine-N'-(2-pyridylmethyl)acetamide 、 四乙基氯化铵 在 NaH 、 Fe(C₅H₅)2PF₆ 作用下， 以 甲醇 为溶剂， 以50%的产率得到[Co(N,N-bis(2-pyridylmethyl)amine-N'-(2-pyridylmethyl)acetamide(1-))(Cl)](ClO4)*2MeCN
  参考文献：
  名称：

  Syntheses, structures, and properties of Co(III) complexes derived from polypyridine ligands containing one carboxamido nitrogen donor

  摘要：

  Four cobalt(III) complexes containing the polypyridine pentadentate ligands N,N-bis(2-pyridylmethyl)amine-N'-ethyl-2-pyridine-2-carboxamide (PaPY3H), N,N-bis(2-pyridylmethyl)amine-N'-[1-(2-pyridylethyl)acetamide (MePcPy3H), and N,N-bis(2-pyridylmethyl)amine-N'-(2-pyridylmethyl)acetamide (PCPy3H), have been synthesized. All three ligands bind the Co(111) center in the same fashion with the exception of loss of conjugation between the carboxamide moiety and the pyridine ring in the latter two. The structures of [(PaPy3)Co(OH)][(PaPy3)Co(H2O)](ClO4)(3) (.) 3H(2)O (1), [(PaPy3)Co(NO2VClO4) (.) 2MeCN (2), [(MePcPy3)Co(MeCN)](ClO4)(2) (.) 0.5-MeCN (3), and [(PCPy3)Co(Cl)](ClO4) (.) 2MeCN (4) have been determined. These ligands with strong-field carboxamido N donor stabilize the +3 oxidation state of the Co center as demonstrated by the facile oxidation of the corresponding Co(H) complexes (prepared in situ) by H2O2, [Fe(Cp)(2)](BF4), or nitric oxide (NO). The Co-N-amido bond distances of 1-4 lie in the narrow range of 1.853-1.898 angstrom. H-1 NMR spectra of these complexes confirm the low-spin d(6) ground states of the metal centers. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.04.020

文献信息

• Syntheses, Structures, and Reactivities of {Fe−NO}⁶ Nitrosyls Derived from Polypyridine-Carboxamide Ligands:  Photoactive NO-Donors and Reagents for S-Nitrosylation of Alkyl Thiols
  作者：Raman K. Afshar、Apurba K. Patra、Marilyn M. Olmstead、Pradip K. Mascharak

  DOI：10.1021/ic040057c

  日期：2004.9.1

  The present nitrosyls, namely [(PcPy(3))Fe(NO)](ClO(4))(2) (2) and [(MePcPy(3))Fe(NO)](ClO(4))(2) (3), belong to the same (Fe-NO)6 family and exhibit (a) clean (1)H NMR spectra in CD(3)CN indicating S = 0 ground state, (b) almost linear Fe-N-O angles (177.3(5) degrees and 177.6(4) degrees for 2 and 3, respectively), and (c) N-O stretching frequencies (nu(NO)) in the range 1900-1925 cm(-)(1). The binding

  由两个设计的五齿配体N，N-双（2-吡啶基甲基）-胺-N'-（2-吡啶基甲基）乙酰胺和N，N-双（2-吡啶基甲基）-胺-N'-[ 1-（2-吡啶基）乙基]乙酰胺（分别为PcPy（3）H和MePcPy（3）H，其中H为可解离的酰胺质子）已经过结构表征。这些络合物类似于以前报道的（Fe-NO）6络合物[[PaPy（3））Fe（NO）]（ClO（4））（2）（1），在温和条件下会释放NO。当前的亚硝酰基，即[[PcPy（3）Fe（NO）]（ClO（4））（2）（2）和[（MePcPy（3））Fe（NO）]（ClO（4））（2 ）（3），属于相同的（Fe-NO）6族，并且表现出（a）CD（3）CN中的纯净（1）H NMR光谱，表明S = 0基态，（b）几乎呈线性的Fe-NO角（分别为2和3分别为177.3（5）度和177.6（4）度），（c）NO拉伸频率（nu（NO））在1900-1925 cm（