1,9-diformyl-5-{4-[N-(tert-butoxycarbonyl)-amino]phenyl}dipyrromethane | 1097263-00-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,9-diformyl-5-{4-[N-(tert-butoxycarbonyl)-amino]phenyl}dipyrromethane
• 英文别名: tert-butyl N-[4-[bis(5-formyl-1H-pyrrol-2-yl)methyl]phenyl]carbamate
• CAS: 1097263-00-7
• 化学式: C₂₂H₂₃N₃O₄
• 分子量: 393.442
• InChiKey: LNTZZCQLEWLTBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  正丙胺 、 1,9-diformyl-5-{4-[N-(tert-butoxycarbonyl)-amino]phenyl}dipyrromethane 以 四氢呋喃 为溶剂， 反应 1.0h， 以100%的产率得到1,9-bis(propylimino)-5-{4-[N-(tert-butoxycarbonyl)amino]phenyl}dipyrromethane
  参考文献：
  名称：

  Design and synthesis of water-soluble bioconjugatable trans-AB-porphyrins

  摘要：

  Three free base porphyrins have been prepared that bear a polar and facially encumbering 2,4,6-tris(carboxymethoxy)phenyl Motif at One meso (5-) position. The only other substituent (15-position) comprises phenyl, formyl, or p-aminophenyl. The porphyrins exhibit solubility in water (or aqueous buffer Solutions) at pH >= 7 and concentrations >1 mM at room temperature. The concise syntheses, water solubility, and bioconjugatable handle make these porphyrin constructs Suitable for biological applications. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.08.096
• 作为产物：
  描述：

  5-[4-(N-(tert-butoxycarbonyl)amino)phenyl]dipyrromethane 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 反应 1.0h， 以68%的产率得到1,9-diformyl-5-{4-[N-(tert-butoxycarbonyl)-amino]phenyl}dipyrromethane
  参考文献：
  名称：

  Design and synthesis of water-soluble bioconjugatable trans-AB-porphyrins

  摘要：

  Three free base porphyrins have been prepared that bear a polar and facially encumbering 2,4,6-tris(carboxymethoxy)phenyl Motif at One meso (5-) position. The only other substituent (15-position) comprises phenyl, formyl, or p-aminophenyl. The porphyrins exhibit solubility in water (or aqueous buffer Solutions) at pH >= 7 and concentrations >1 mM at room temperature. The concise syntheses, water solubility, and bioconjugatable handle make these porphyrin constructs Suitable for biological applications. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.08.096

文献信息

• Design and synthesis of water-soluble bioconjugatable trans-AB-porphyrins
  作者：Ana Z. Muresan、Jonathan S. Lindsey

  DOI：10.1016/j.tet.2008.08.096

  日期：2008.12

  Three free base porphyrins have been prepared that bear a polar and facially encumbering 2,4,6-tris(carboxymethoxy)phenyl Motif at One meso (5-) position. The only other substituent (15-position) comprises phenyl, formyl, or p-aminophenyl. The porphyrins exhibit solubility in water (or aqueous buffer Solutions) at pH >= 7 and concentrations >1 mM at room temperature. The concise syntheses, water solubility, and bioconjugatable handle make these porphyrin constructs Suitable for biological applications. (C) 2008 Elsevier Ltd. All rights reserved.