N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide | 1051911-78-4

• 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: N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-N-hydroxybenzamide
• CAS: 1051911-78-4
• 化学式: C₃₈H₂₄N₄O₁₂S₄
• 分子量: 856.892
• InChiKey: NXLWBXADLJVXDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  58
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  355
• 氢给体数：
  6
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  15,55-bis(hydroxyamino)-35,75-dinitro-2,4,6,8-tetrathia-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52,72-tetraol 、 苯甲酰氯 在 sodium carbonate 作用下， 反应 0.03h， 以89%的产率得到N-[17-[benzoyl(hydroxy)amino]-25,26,27,28-tetrahydroxy-11,23-dinitro-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaen-5-yl]-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

文献信息

• Synthesis of Thia-calix[4]arene Hydroxamic Acids by Microwave Irradiation
  作者：Y. K. Agrawal、J. P. Pancholi

  DOI：10.1080/00397910802139429

  日期：2008.6.27

  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.