8-(2-Nitro-phenoxy)-octylamine | 210581-88-7

• 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: 8-(2-Nitro-phenoxy)-octylamine
• 英文别名: 8-(2-nitrophenoxy)octan-1-amine
• CAS: 210581-88-7
• 化学式: C₁₄H₂₂N₂O₃
• 分子量: 266.34
• InChiKey: JEYMNSMFRHXBCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-(2-Nitro-phenoxy)-octylamine 、 6,12,18,39-Tetrakis(isothiocyanatomethyl)-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 以 二氯甲烷 为溶剂， 反应 24.0h， 以55%的产率得到1-[8-(2-Nitrophenoxy)octyl]-3-[[12,18,39-tris[[8-(2-nitrophenoxy)octylcarbamothioylamino]methyl]-25,29,33,37-tetrapentyl-2,4,8,10,14,16,20,22-octaoxanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaen-6-yl]methyl]thiourea
  参考文献：
  名称：

  (Thio)urea Resorcinarene Cavitands. Complexation and Membrane Transport of Halide Anions

  摘要：

  Reaction of aminomethylcavitands with iso(thio)cyanates gives (thio)urea-functionalized resorcinarene cavitands, which represent a novel class of neutral anion receptors. The complexation of halide anions has been studied both with infrared and H-1 NMR spectroscopy. The receptors have a small preference for chloride over the other halides; p-fluorophenylthiourea cavitand 8a gives the highest association constant (K-ass = 4.7 x 10(5) M-1 with chloride in CDCl3). A cooperative effect of the ligating (thio)urea moieties is indicated by the lower affinity of the corresponding tris(thio)urea-functionalized cavitands. For the first time facilitated membrane transport of halide anions through supported liquid membranes is achieved.

  DOI：

  10.1021/jo972127l
• 作为产物：
  描述：

  N-[8-(2-nitro-phenoxy)-octyl]-phthalimide 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 8-(2-Nitro-phenoxy)-octylamine
  参考文献：
  名称：

  潜在的抗肿瘤药。28.脱氧核糖核酸聚插剂。

  摘要：

  DOI：

  10.1021/jm00205a013