2-Nitro-N-methylbenzohydroxamsaeure | 63977-18-4

• 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-Nitro-N-methylbenzohydroxamsaeure
• 英文别名: N-hydroxy-N-methyl-2-nitrobenzamide
• CAS: 63977-18-4
• 化学式: C₈H₈N₂O₄
• 分子量: 196.163
• InChiKey: YANWTKAFULPLSR-UHFFFAOYSA-N

物化性质

• 沸点：
  377.7±44.0 °C(Predicted)
• 密度：
  1.425±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 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：
  86.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Nitro-N-methylbenzohydroxamsaeure 生成 (Z)-hydroxy-[hydroxy-(2-nitrophenyl)methylidene]-methylazanium
  参考文献：
  名称：

  LOBO, A. M.;PRABHAKAR, S.;TAVARES, M. R., TETRAHEDRON LETT., 1981, 22, N 31, 3007-3008

  摘要：

  DOI：
• 作为产物：
  描述：

  N-甲基羟胺 、 2-硝基苯甲酰氯 在 碳酸氢钠 作用下， 以 甲醇 、 乙醚 为溶剂， 以76%的产率得到2-Nitro-N-methylbenzohydroxamsaeure
  参考文献：
  名称：

  Triorganotin(IV) complexes with o-substituted arylhydroxamates: Synthesis, spectroscopic characterization, X-ray structures and in vitro cytotoxic activities

  摘要：

  Six new triorganotin(IV) complexes with six different RN-2-X-benzohydroxamic acid ligands having general formula R'C(O)N(RN)OH (R' = alkyl/aryl; RN = alkyl/aryl or H), (X = -I, -NO2, -OCH3, -Br and R = -CH3, -C6H5 and -C6H4-CH3), were prepared by condensation method with the respective organotin(IV) chlorides using a stoichiometric ratio of 1:1. The bonding and coordination behaviour of these complexes were investigated on the basis of FT-IR, multinuclear H-1, C-13 and Sn-119 NMR spectroscopies. Complexes (1) and (3) crystallize in the orthorhombic P2(1)2(1)2(1) space group and complex (2) crystallizes in the triclinic P-1 space group whereas complex (4) crystallizes in the monoclinic P2(1)/c space group. The tested triphenyltin(IV) complexes showed significant cytotoxicities, higher than doxorubicin toward K-562, Jurkat, HepG2 and L929 cells. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.04.015