5-Amino-7-tert-butyl-9-oxo-4-[3-(1,1,3,3-tetramethyl-butyl)-ureido]-9H-xanthene-2-carboxylic acid diethylamide | 654643-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-Amino-7-tert-butyl-9-oxo-4-[3-(1,1,3,3-tetramethyl-butyl)-ureido]-9H-xanthene-2-carboxylic acid diethylamide
• CAS: 654643-76-2
• 化学式: C₃₁H₄₄N₄O₄
• 分子量: 536.715
• InChiKey: PLVWHDXYRQQHNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.64
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  117.67
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-Amino-7-tert-butyl-9-oxo-4-[3-(1,1,3,3-tetramethyl-butyl)-ureido]-9H-xanthene-2-carboxylic acid diethylamide 以 四氢呋喃 为溶剂， 生成 7-tert-butyl-N,N-diethyl-9-oxo-5-[3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)propanoylamino]-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)xanthene-2-carboxamide
  参考文献：
  名称：

  A xanthone-based neutral receptor for zwitterionic amino acids

  摘要：

  Combination of a xanthone and crown ether provides a receptor that extracts phenylalanine from water. Strong anisotropic shifts were observed for the guest aromatic ring in the complex. The ninhydrin test was used to assess the amount of other amino acids extracted by this receptor. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01795-7
• 作为产物：
  描述：

  叔辛胺 在 tin(ll) chloride 作用下， 以 甲醇 为溶剂， 生成 5-Amino-7-tert-butyl-9-oxo-4-[3-(1,1,3,3-tetramethyl-butyl)-ureido]-9H-xanthene-2-carboxylic acid diethylamide
  参考文献：
  名称：

  A xanthone-based neutral receptor for zwitterionic amino acids

  摘要：

  Combination of a xanthone and crown ether provides a receptor that extracts phenylalanine from water. Strong anisotropic shifts were observed for the guest aromatic ring in the complex. The ninhydrin test was used to assess the amount of other amino acids extracted by this receptor. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(03)01795-7