ethyl 2-[(5,6-dimethyl-2-sulfido-1,3,4,7,2-dioxadiazaphosphepin-2-yl)amino](phenyl)acetate | 1352955-84-0

• 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: ethyl 2-[(5,6-dimethyl-2-sulfido-1,3,4,7,2-dioxadiazaphosphepin-2-yl)amino](phenyl)acetate
• 英文别名: Ethyl 2-[(5,6-dimethyl-2-sulfanylidene-1,3,4,7,2lambda5-dioxadiazaphosphepin-2-yl)amino]-2-phenylacetate；ethyl 2-[(5,6-dimethyl-2-sulfanylidene-1,3,4,7,2λ5-dioxadiazaphosphepin-2-yl)amino]-2-phenylacetate
• CAS: 1352955-84-0
• 化学式: C₁₄H₁₈N₃O₄PS
• 分子量: 355.354
• InChiKey: LEDUJHDHKLLOAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-chloro-5,6-dimethyl-1,3,4,7,2-dioxadiazaphosphepine-2-sulfide 、 Α-氨基-2-苯乙酸乙酯盐酸盐 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 ethyl 2-[(5,6-dimethyl-2-sulfido-1,3,4,7,2-dioxadiazaphosphepin-2-yl)amino](phenyl)acetate
  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

文献信息

• Synthesis and Bioassay of Alkyl-2-[(5,6-dimethyl-2-sulfido-1,3,4,7,2-dioxadiazaphosphepin-2-yl)amino] Alkyl/Aryl Esters
  作者：M. Veera Narayana Reddy、G. Chandra Sekhar Reddy、S. K. Annar、K. Uma Maheswara Rao、C. Suresh Reddy

  DOI：10.1080/15533174.2011.591869

  日期：2011.10.1

  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.