2-[21-(2-Hydrazinyl-2-oxoethyl)-17-methyl-2,5-dioxa-13,17,21-triazatricyclo[21.4.0.06,11]heptacosa-1(27),6,8,10,23,25-hexaen-13-yl]acetohydrazide | 1432470-64-8

• 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: 2-[21-(2-Hydrazinyl-2-oxoethyl)-17-methyl-2,5-dioxa-13,17,21-triazatricyclo[21.4.0.06,11]heptacosa-1(27),6,8,10,23,25-hexaen-13-yl]acetohydrazide
• 英文别名: 2-[21-(2-hydrazinyl-2-oxoethyl)-17-methyl-2,5-dioxa-13,17,21-triazatricyclo[21.4.0.06,11]heptacosa-1(27),6,8,10,23,25-hexaen-13-yl]acetohydrazide
• CAS: 1432470-64-8
• 化学式: C₂₇H₄₁N₇O₄
• 分子量: 527.667
• InChiKey: QFSKXKXKOYBCQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  138
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-[21-(2-Hydrazinyl-2-oxoethyl)-17-methyl-2,5-dioxa-13,17,21-triazatricyclo[21.4.0.06,11]heptacosa-1(27),6,8,10,23,25-hexaen-13-yl]acetohydrazide 、 异氰酸对硝基苯 以 二氯甲烷 为溶剂， 反应 24.0h， 以65%的产率得到2,2'-(2,2'-(10-methyl-8,9,10,11,12,13,21,22-octahydro-5H-dibenzo[e,r][1,4]dioxa[8,12,16]triazacyclononadecine-6,14(7H,15H)-diyl)bis(acetyl))bis(N-(4-nitrophenyl)hydrazine-1-carboxamide)
  参考文献：
  名称：

  Colorimetric macrocyclic anion probes bearing nitrophenylurea and nitrophenylthiourea binding groups

  摘要：

  Two novel molecular probes bearing two urea (sensor 1) or thiourea (sensor 2) groups (as anion recognition site) coupled with a nitrophenyl group (chromogenic unit) were synthesized and evaluated according to the binding site-signaling subunit approach.The behavior of these different compounds toward metal ions (Co2+, Ni2+, Cu2+, Zn2+, and Cd2+) and anions (F-, Cl-, Br-, I-, CIO4-, NO3-, CN-, OH-, CH3COO-, and H2PO4-) was investigated by UV-vis spectroscopy in DMSO. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.016
• 作为产物：
  描述：

  2-[2-(2-甲烷酰苯氧基)乙氧基]苯甲醛 在 sodium tetrahydroborate 、 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 2-[21-(2-Hydrazinyl-2-oxoethyl)-17-methyl-2,5-dioxa-13,17,21-triazatricyclo[21.4.0.06,11]heptacosa-1(27),6,8,10,23,25-hexaen-13-yl]acetohydrazide
  参考文献：
  名称：

  Colorimetric macrocyclic anion probes bearing nitrophenylurea and nitrophenylthiourea binding groups

  摘要：

  Two novel molecular probes bearing two urea (sensor 1) or thiourea (sensor 2) groups (as anion recognition site) coupled with a nitrophenyl group (chromogenic unit) were synthesized and evaluated according to the binding site-signaling subunit approach.The behavior of these different compounds toward metal ions (Co2+, Ni2+, Cu2+, Zn2+, and Cd2+) and anions (F-, Cl-, Br-, I-, CIO4-, NO3-, CN-, OH-, CH3COO-, and H2PO4-) was investigated by UV-vis spectroscopy in DMSO. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.04.016