7-tert-butyl-N,N-diethyl-5-nitro-9-oxo-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)xanthene-2-carboxamide | 612058-84-1

• 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: 7-tert-butyl-N,N-diethyl-5-nitro-9-oxo-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)xanthene-2-carboxamide
• CAS: 612058-84-1
• 化学式: C₃₁H₄₂N₄O₆
• 分子量: 566.698
• InChiKey: CZLALPACDKNREH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  7-tert-butyl-N,N-diethyl-5-nitro-9-oxo-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)xanthene-2-carboxamide 在 tin(ll) chloride 作用下， 以 甲醇 为溶剂， 以98%的产率得到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
• 作为产物：
  描述：

  4-bromo-5-nitroisophthalic acid 在 氯化亚砜 、 铁粉 、 溶剂黄146 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 7-tert-butyl-N,N-diethyl-5-nitro-9-oxo-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

文献信息

• A xanthone-based neutral receptor for zwitterionic amino acids
  作者：José V. Hernández、Francisco M. Muñiz、Ana I. Oliva、Luis Simón、Emilio Pérez、Joaquı́n R. Morán

  DOI：10.1016/s0040-4039(03)01795-7

  日期：2003.9

  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.