methyl 2-[(5,6-dimethyl-2-sulfido-1,3,4,7,2-dioxadiazaphosphepin-2-yl)amino]-3-(1H-indol-3-yl)propanoate | 1352955-81-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: methyl 2-[(5,6-dimethyl-2-sulfido-1,3,4,7,2-dioxadiazaphosphepin-2-yl)amino]-3-(1H-indol-3-yl)propanoate
• CAS: 1352955-81-7
• 化学式: C₁₆H₁₉N₄O₄PS
• 分子量: 394.391
• InChiKey: UQUWLIQTHWQHSI-HNNXBMFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.86
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  97.3
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  2-chloro-5,6-dimethyl-1,3,4,7,2-dioxadiazaphosphepine-2-sulfide 、 L-色氨酸甲酯盐酸盐 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 methyl 2-[(5,6-dimethyl-2-sulfido-1,3,4,7,2-dioxadiazaphosphepin-2-yl)amino]-3-(1H-indol-3-yl)propanoate
  参考文献：
  名称：

  Synthesis and Bioassay of Alkyl-2-[(5,6-dimethyl-2-sulfido-1,3,4,7,2-dioxadiazaphosphepin-2-yl)amino] Alkyl/Aryl Esters

  摘要：

  Synthesis of alkyl-2-[(5,6-dimethyl-2-sulfido-1,3,4,7,2-dioxadiazaphosphepin-2-yl)amino]alkyl/aryl esters (3a-j) was accomplished via a two-step process. It involves the prior preparation of monochloride intermediate (2) and its subsequent reaction with the amino acid esters in dry tetrahydrofuran in the presence of triethylamine at reflux temperature. These compounds were characterized by infrared (IR), H-1-, C-13-, and P-31-nuclear magnetic resonance (NMR), and mass and elemental analysis and were found to exhibit potent antimicrobial activity.

  DOI：

  10.1080/15533174.2011.591869