N-[4-[31-[4-[benzoyl(hydroxy)amino]phenyl]-40,41-dihydroxy-25,36-bis(4-nitrophenyl)-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23,25,27(41),29,31,34(40),35,37-dodecaen-19-yl]phenyl]-N-hydroxybenzamide | 1051911-85-3

• 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: N-[4-[31-[4-[benzoyl(hydroxy)amino]phenyl]-40,41-dihydroxy-25,36-bis(4-nitrophenyl)-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23,25,27(41),29,31,34(40),35,37-dodecaen-19-yl]phenyl]-N-hydroxybenzamide
• CAS: 1051911-85-3
• 化学式: C₇₀H₅₄N₄O₁₅S₄
• 分子量: 1319.48
• InChiKey: KLSFTVFUWRRZHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  93
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  361
• 氢给体数：
  4
• 氢受体数：
  19

反应信息

• 作为产物：
  描述：

  、 苯甲酰氯 在 sodium carbonate 作用下， 反应 0.05h， 以90%的产率得到N-[4-[31-[4-[benzoyl(hydroxy)amino]phenyl]-40,41-dihydroxy-25,36-bis(4-nitrophenyl)-3,6,9,12,15-pentaoxa-22,28,33,39-tetrathiahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1,16,18,20,23,25,27(41),29,31,34(40),35,37-dodecaen-19-yl]phenyl]-N-hydroxybenzamide
  参考文献：
  名称：

  Synthesis of Thia-calix[4]arene Hydroxamic Acids by Microwave Irradiation

  摘要：

  Thia-calix[4]arene hydroxamic acids have been synthesized by partial reduction of nitro-thia-calix[4]arenes with hydrazine hydrate, Rn/Ni, and their coupling with benzoyl chloride under the influence of microwave irradiation with 90-95% yield and 3-6min reaction time.

  DOI：

  10.1080/00397910802139429