tert-butyl N-methyl-N-[[10-[[methyl-[2-[methyl-[[10-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anthracen-9-yl]methyl]carbamoyl]benzoyl]amino]methyl]anthracen-9-yl]methyl]carbamate | 503155-20-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: tert-butyl N-methyl-N-[[10-[[methyl-[2-[methyl-[[10-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anthracen-9-yl]methyl]carbamoyl]benzoyl]amino]methyl]anthracen-9-yl]methyl]carbamate
• CAS: 503155-20-2
• 化学式: C₅₄H₅₈N₄O₆
• 分子量: 859.078
• InChiKey: KPEIKKJEEWIAOI-UHFFFAOYSA-N

物化性质

• 沸点：
  987.0±65.0 °C(Predicted)
• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  64
• 可旋转键数：
  14
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  99.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-butyl N-methyl-N-[[10-[[methyl-[2-[methyl-[[10-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anthracen-9-yl]methyl]carbamoyl]benzoyl]amino]methyl]anthracen-9-yl]methyl]carbamate 在 potassium carbonate 、 三氟乙酸 、 potassium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 12.5h， 生成 [2-[[[10-[[[2-[[10-[[(2-Boronophenyl)methyl-methylamino]methyl]anthracen-9-yl]methyl-methylcarbamoyl]benzoyl]-methylamino]methyl]anthracen-9-yl]methyl-methylamino]methyl]phenyl]boronic acid
  参考文献：
  名称：

  A glucose-selective fluorescence sensor based on boronicacid-diol recognition

  摘要：

  A glucose selective diphenylboronic acid fluorescent sensor (10a) vith a K-a of 1472 M-1 has been synthesized and evaluated. This sensor shoals a 43- and 49-fold selectivity for glucose over fructose and galactose, respectively. The binding affinity improvement is about 300-fold and the selectivity. improvement for glucose over fructose is about 1400-fold compared vith the monoboronic acid compound. phenylboronic acid. H-1 NMR studies indicate that sensor 10a binds with alpha-D-glucofuranose in a bidentate manner (1:1 ratio). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00767-9
• 作为产物：
  描述：

  邻苯二甲酸 、 tert-butyl methyl({10-[(methylamino)methyl]anthracen-9-yl}methyl)carbamate 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 4-二甲氨基吡啶 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 tert-butyl N-methyl-N-[[10-[[methyl-[2-[methyl-[[10-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anthracen-9-yl]methyl]carbamoyl]benzoyl]amino]methyl]anthracen-9-yl]methyl]carbamate
  参考文献：
  名称：

  A glucose-selective fluorescence sensor based on boronicacid-diol recognition

  摘要：

  A glucose selective diphenylboronic acid fluorescent sensor (10a) vith a K-a of 1472 M-1 has been synthesized and evaluated. This sensor shoals a 43- and 49-fold selectivity for glucose over fructose and galactose, respectively. The binding affinity improvement is about 300-fold and the selectivity. improvement for glucose over fructose is about 1400-fold compared vith the monoboronic acid compound. phenylboronic acid. H-1 NMR studies indicate that sensor 10a binds with alpha-D-glucofuranose in a bidentate manner (1:1 ratio). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00767-9

文献信息

• A glucose-selective fluorescence sensor based on boronicacid-diol recognition
  作者：Vishnu Vardhan Karnati、Xingming Gao、Shouhai Gao、Wenqian Yang、Weijuan Ni、Sabapathy Sankar、Binghe Wang

  DOI：10.1016/s0960-894x(02)00767-9

  日期：2002.12

  A glucose selective diphenylboronic acid fluorescent sensor (10a) vith a K-a of 1472 M-1 has been synthesized and evaluated. This sensor shoals a 43- and 49-fold selectivity for glucose over fructose and galactose, respectively. The binding affinity improvement is about 300-fold and the selectivity. improvement for glucose over fructose is about 1400-fold compared vith the monoboronic acid compound. phenylboronic acid. H-1 NMR studies indicate that sensor 10a binds with alpha-D-glucofuranose in a bidentate manner (1:1 ratio). (C) 2002 Elsevier Science Ltd. All rights reserved.