2-Hydroxy-5-nitro-benzal-methylamin | 35082-69-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-Hydroxy-5-nitro-benzal-methylamin
• 英文别名: N-Methyl-2-hydroxy-5-nitrobenzalamin；4-nitrosalicylidenemethylamine；2-(Methyliminomethyl)-4-nitrophenol；2-(methyliminomethyl)-4-nitrophenol
• CAS: 35082-69-0
• 化学式: C₈H₈N₂O₃
• 分子量: 180.163
• InChiKey: FPKCDAOUOHRWKC-UHFFFAOYSA-N

物化性质

• 沸点：
  340.5±37.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  78.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Hydroxy-5-nitro-benzal-methylamin 、 二氯二氧化钼 以 乙醚 为溶剂， 以100%的产率得到
  参考文献：
  名称：

  Molecular and Intracomplex Dioxomolybdenum(VI) Compounds with Substituted R1-Salycilidene-N-methylimines (HL): Crystal Structure of Three [MoO2(L)2] Complexes (R1 = H, 5-Br, 5-Cl)

  摘要：

  The synthesis and IR spectroscopic and X-ray diffraction studies of three [MoO2(L-n)(2)] complexes with n = 1 (R = H, repeatedly) (I), n = 4 (R = Br) (II), and n = 3 (R = Cl) (III) have been performed. The molybdenum atoms in the structures of complexes I-III have a typical octahedral coordination with dioxo ligands in cis-positions, atoms N(L-n) in trans-positions to O(oxo), and atoms O(L-n) in cis-positions to oxo ligands. Ligands L-n are bidentate chelate (N, O).

  DOI：

  10.1134/s003602361808020x
• 作为产物：
  描述：

  5-硝基水杨醛 、 甲胺 以 乙醇 为溶剂， 生成 2-Hydroxy-5-nitro-benzal-methylamin
  参考文献：
  名称：

  Neurath,G. et al., Chemische Berichte, 1964, vol. 97, p. 1631 - 1638

  摘要：

  DOI：

文献信息

• Control of Stereochemistry at the Metal Center in Planar-Chiral Cyclopentadienyl Ruthenium Complexes with Anchor Phosphine on Complexation with Salicylideneaminato Ligands
  作者：Kiyotaka Onitsuka、Yoshiki Ajioka、Yuji Matsushima、Shigetoshi Takahashi

  DOI：10.1021/om0102246

  日期：2001.7.1

  studies including NOE measurements revealed that the configuration of the major isomers is SCpRRu/RCpSRu. Similar reactions of planar-chiral cyclopentadienyl ruthenium complexes [η5-C5H2(Me)(R)COOEt}Ru(PPh3)(MeCN)2][PF6] (7) (7a, R = Me; 7b, R = Ph) having no anchor phosphine ligands with 2 also gave salicylideneaminato complexes (8 and 9) with a low selectivity. Epimerization of a pure sample of the major

  平面手性的环戊二烯基膦钌配合物的反应[η 5，η 1 - C 5 ħ 2（Me）的（R）COO（CH 2）2 PPH 2 }钌（MeCN中）2 ] [PF 6 ]（1A， R = Me; 1b，R = Ph）与水杨内酰胺钠（2）导致形成水杨内酰胺络合物（3和4，R = Me; 5和6，R = Ph）以高选择性（高达> 99％de）诱导金属中心手性。产物的非对映选择性不取决于水杨基亚胺基配体的芳环上的取代基，而是取决于环戊二烯基和亚氨基上的氮的取代基。X射线衍射和NMR研究（包括NOE测量）表明，主要异构体的构型为S Cp R Ru / R Cp S Ru。平面手性的环戊二烯基的钌络合物的类似反应[η 5 - C 5 ħ 2（Me）的（R）COOEt烷基}钌（PPH 3）（MeCN中）2 ] [PF 6 ]（7）（7a，R ＝ Me；7b，R ＝ Ph）不具有2的锚定膦配体，也产生了低选
• Neurath,G. et al., Chemische Berichte, 1964, vol. 97, p. 1631 - 1638
  作者：Neurath,G. et al.

  DOI：——

  日期：——
• Molecular and Intracomplex Dioxomolybdenum(VI) Compounds with Substituted R1-Salycilidene-N-methylimines (HL): Crystal Structure of Three [MoO2(L)2] Complexes (R1 = H, 5-Br, 5-Cl)
  作者：V. S. Sergienko、V. L. Abramenko、Yu. E. Gorbunova

  DOI：10.1134/s003602361808020x

  日期：2018.8

  The synthesis and IR spectroscopic and X-ray diffraction studies of three [MoO2(L-n)(2)] complexes with n = 1 (R = H, repeatedly) (I), n = 4 (R = Br) (II), and n = 3 (R = Cl) (III) have been performed. The molybdenum atoms in the structures of complexes I-III have a typical octahedral coordination with dioxo ligands in cis-positions, atoms N(L-n) in trans-positions to O(oxo), and atoms O(L-n) in cis-positions to oxo ligands. Ligands L-n are bidentate chelate (N, O).