nicotinic acid N-oxide sodium salt | 40950-89-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: nicotinic acid N-oxide sodium salt
• 英文别名: Na-nicotinate-N-oxide；Nicotinic acid oxide sodium salt；sodium;1-oxidopyridin-1-ium-3-carboxylate
• CAS: 40950-89-8
• 化学式: C₆H₄NO₃*Na
• 分子量: 161.092
• InChiKey: LXFVSEQNECEJQB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.31
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cis-[Pt(1,1’-bis(diphenylphosphino)ferrocene)(trifluoromethanesulfonate)2] 、 nicotinic acid N-oxide sodium salt 以 甲醇 为溶剂， 以79%的产率得到((1,1'-bis(diphenylphosphino)ferrocene)2Pt2(nicotinate-N-oxide)2)(trifluoromethanesulfonate)2
  参考文献：
  名称：

  Coordination driven self-assembly of metallamacrocycles using ambidentate linkers and self-selection of single linkage isomer

  摘要：

  Nicotinate-N-oxide and isonicotinate-N-oxide have been employed to synthesize four heterometallic metallamacrocycles [(dppf)(2)Pd-2(nicotinate-N-oxide)(2)](OTf)(2) (1), [(dppf)(2)Pt-2(nicotinate-N-oxide)(2)](OTf)(2) (2), [(dppf) 2Pd2(isonicotinate-N-oxide)(2)](OTf)(2) (3) and [(dppf)(2)Pt-2(isonicotinate-N-oxide)(2)](OTf)(2) (4). The complexes represent the first examples of metallamacrocycles driven by solely Pd(II)/Pt(II)-O coordination using carboxylate-N-oxide donor. All the complexes 1-4 are characterized by IR, UV-Vis, multinuclear NMR spectroscopic and ESI-MS studies. The molecular structures of the complexes 1 and 3 are unambiguously determined by single crystal X-ray diffraction analysis. Despite the possibility of formation of several linkage isomers due to ambidentate nature of the donors, exclusive formation of [2 + 2] self-assembled single isomeric metallamacrocycle in each case is interesting observation. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.088

文献信息

• SATOH, HIROAKI;KOYAMA, HIROYASU;SUZUKI, YOSHIKUNI;SUGAI, TOSHIJI;WATANABE+
  作者：SATOH, HIROAKI、KOYAMA, HIROYASU、SUZUKI, YOSHIKUNI、SUGAI, TOSHIJI、WATANABE+

  DOI：——

  日期：——
• Coordination driven self-assembly of metallamacrocycles using ambidentate linkers and self-selection of single linkage isomer
  作者：Arun Kumar Bar、Rajesh Chakrabarty、Hon Man Lee、Partha Sarathi Mukherjee

  DOI：10.1016/j.ica.2011.02.088

  日期：2011.6

  Nicotinate-N-oxide and isonicotinate-N-oxide have been employed to synthesize four heterometallic metallamacrocycles [(dppf)(2)Pd-2(nicotinate-N-oxide)(2)](OTf)(2) (1), [(dppf)(2)Pt-2(nicotinate-N-oxide)(2)](OTf)(2) (2), [(dppf) 2Pd2(isonicotinate-N-oxide)(2)](OTf)(2) (3) and [(dppf)(2)Pt-2(isonicotinate-N-oxide)(2)](OTf)(2) (4). The complexes represent the first examples of metallamacrocycles driven by solely Pd(II)/Pt(II)-O coordination using carboxylate-N-oxide donor. All the complexes 1-4 are characterized by IR, UV-Vis, multinuclear NMR spectroscopic and ESI-MS studies. The molecular structures of the complexes 1 and 3 are unambiguously determined by single crystal X-ray diffraction analysis. Despite the possibility of formation of several linkage isomers due to ambidentate nature of the donors, exclusive formation of [2 + 2] self-assembled single isomeric metallamacrocycle in each case is interesting observation. (C) 2011 Elsevier B.V. All rights reserved.