1,4-dioxa-7,10-dithiacyclododecane-2,3-dione | 652969-26-1

• 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: 1,4-dioxa-7,10-dithiacyclododecane-2,3-dione
• CAS: 652969-26-1
• 化学式: C₈H₁₂O₄S₂
• 分子量: 236.313
• InChiKey: TVAZFVZMJWTXEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  草酰氯 、 3,6-二硫杂-1,8-辛二醇 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以54%的产率得到1,4-dioxa-7,10-dithiacyclododecane-2,3-dione
  参考文献：
  名称：

  Synthesis and Biological Evaluation of Some New Thioether-Ester Crown Ethers

  摘要：

  New thioether-ester crown ethers have been synthesized starting from oxalyl chloride and different beta,beta'-dihydroxydithioethers. The synthesized compounds are screened for their antibacterial activity. Among the macrocyclic thioetheresters (5a-j), only 5,12-di[(allyloxy)methyl]-1,4-dioxa-7,10-dithiacyclododecane2,3-dione (5e) and 5,12-di(isopropoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane2,3-dione (5)9 were effective inhibitors against Staphilococcus aureus methicillin resistance and Pseudomanas aeruginosa with an MIC value of 525 and 265 mu M. Structures of the synthesized compounds have been confirmed by H-1 NMR, C-13 NMR, and MS spectral studies.

  DOI：

  10.1080/10426500600917060

文献信息

• Synthesis and Biological Evaluation of Some New Thioether-Ester Crown Ethers
  作者：Seyed Mohammad Seyedi、Ali Sadeghian、Hamid Sadeghian、Ayla Hazrathoseyni、Mohammad Sadeghian

  DOI：10.1080/10426500600917060

  日期：2007.1.1

  New thioether-ester crown ethers have been synthesized starting from oxalyl chloride and different beta,beta'-dihydroxydithioethers. The synthesized compounds are screened for their antibacterial activity. Among the macrocyclic thioetheresters (5a-j), only 5,12-di[(allyloxy)methyl]-1,4-dioxa-7,10-dithiacyclododecane2,3-dione (5e) and 5,12-di(isopropoxymethyl)-1,4-dioxa-7,10-dithiacyclododecane2,3-dione (5)9 were effective inhibitors against Staphilococcus aureus methicillin resistance and Pseudomanas aeruginosa with an MIC value of 525 and 265 mu M. Structures of the synthesized compounds have been confirmed by H-1 NMR, C-13 NMR, and MS spectral studies.