7,10,13-triaza-1-sulfoxo-4,16-dioxa-6,14-dioxo-2,3;17,18-[a]dinaphtho-cyclooctadecane | 1221227-31-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 7,10,13-triaza-1-sulfoxo-4,16-dioxa-6,14-dioxo-2,3;17,18-[a]dinaphtho-cyclooctadecane
• CAS: 1221227-31-1
• 化学式: C₂₈H₂₇N₃O₆S
• 分子量: 533.605
• InChiKey: QZKIRYSVTJWWLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.42
• 重原子数：
  38.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  122.83
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1,1'-thio-bis-(2-naphthoxy-(methyl acetate)) 在 甲酸 、 双氧水 作用下， 以 水 、 乙二醇 为溶剂， 生成 7,10,13-triaza-1-sulfoxo-4,16-dioxa-6,14-dioxo-2,3;17,18-[a]dinaphtho-cyclooctadecane
  参考文献：
  名称：

  Efficient Route for the Synthesis of New Dinaphthosulfoxide Aza Crowns Using Ethyleneglycol Under Microwave (MW) Irradiation: Macrocyclization is Preferred to Oligomerization Under MW Irradiation

  摘要：

  DOI：

  10.1080/10426507.2010.544270

文献信息

• BINOL Aza Macrocycle Derivatives: Synthesis of Dinaphthosulfone Aza Macrocycles Using p-Toluenesulfonic Acid (p-TsOH) in Methanol as an Efficient Route and Evaluation of Their ¹H NMR Spectra
  作者：Esmael Rostami、Abbas Shockravi、Hanif Fattahi、Davood Heydarian、Shima Shahbanzadeh Minaee、Shaghayegh Naghdi、Ebrahim Abouzari Lotf、Mahdieh Sadeghpour、Hamideh Hosseini、Zahra Taheri、Shahla Ghorbani、Ali Javadi、Shahram Mehdipoure Ataei

  DOI：10.1080/10426500802421036

  日期：2009.8.6

  Dinaphthosulfone aza macrocycles were synthesized from the reaction of diamines and dinaphthosulfone diester (1,1'-sulfoxobis-(2-naphthoxy(2-methyl acetate))) in methanol in the presence of catalytic amounts of para toluenesulfonic acid (p-TsOH). Dinaphthosulfone diester (1,1'-sulfoxobis-(2-naphthoxy(2-methyl acetate))) was synthesized from the corresponding dinaphthosulfide diester and hydrogen peroxide in formic acid at room temperature. Dinaphthosulfide diester was prepared from initial dinaphtholsulfide diol (1,1'-thio bis(2-hydroxy naphthalene)) and methylchloroacetate. H-1 NMR spectroscopy showed the unusual splittings for these dinaphthosulfone aza macrocycles, and this finding could be proposed as the role of tetrahedral structure of sulfone functional group, hydrogen bonding in the cavity and size of macrocycle.