tert-butyl N-[N'-[(10-bromoanthracen-9-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate | 357213-94-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: tert-butyl N-[N'-[(10-bromoanthracen-9-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
• CAS: 357213-94-6
• 化学式: C₂₆H₃₀BrN₃O₄
• 分子量: 528.446
• InChiKey: CAESBRLLEYYXGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.66
• 重原子数：
  34.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  89.02
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[N'-[(10-bromoanthracen-9-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到9-bromo-10-(guanidinomethyl)anthracene
  参考文献：
  名称：

  9-(Guanidinomethyl)-10-vinylanthracene: a suitable fluorescent monomer for MIPs

  摘要：

  9-(Guanidinomethyl)anthracene derivatives with a bromo (6) or a vinyl group (10) at the 10-position have been prepared starting from 9-bromoanthracene (1). They show 1:1 complexation with carboxylic acids or carboxylates with K-values of 1.2-1.4 x 10(5) M-1 in deuteriomethanol. Copolymerization of 9-vinylanthracene, 9-(guanidinomethyl)-10-vinylanthracene hydrochloride (10), and the 1:1 complex of 10 and ammonium benzoate with ethyleneglycol dimethacrylate (EDMA) gave the polymers in 77-92% yield. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00738-9
• 作为产物：
  描述：

  9-溴蒽 在 tris(dibenzylideneacetone)dipalladium (0) 、 三苯胂 、 硫酸 、 碘化1,2-二甲基吡啶鎓 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 240.0h， 生成 tert-butyl N-[N'-[(10-bromoanthracen-9-yl)methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
  参考文献：
  名称：

  9-(Guanidinomethyl)-10-vinylanthracene: a suitable fluorescent monomer for MIPs

  摘要：

  9-(Guanidinomethyl)anthracene derivatives with a bromo (6) or a vinyl group (10) at the 10-position have been prepared starting from 9-bromoanthracene (1). They show 1:1 complexation with carboxylic acids or carboxylates with K-values of 1.2-1.4 x 10(5) M-1 in deuteriomethanol. Copolymerization of 9-vinylanthracene, 9-(guanidinomethyl)-10-vinylanthracene hydrochloride (10), and the 1:1 complex of 10 and ammonium benzoate with ethyleneglycol dimethacrylate (EDMA) gave the polymers in 77-92% yield. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00738-9