N,N'-di-tert-butoxycarbonyl-6-nitro-1H-benzotriazole-1-carboxamidine | 383910-39-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: N,N'-di-tert-butoxycarbonyl-6-nitro-1H-benzotriazole-1-carboxamidine
• 英文别名: tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-(6-nitrobenzotriazol-1-yl)methylidene]carbamate
• CAS: 383910-39-2
• 化学式: C₁₇H₂₂N₆O₆
• 分子量: 406.398
• InChiKey: LCXGSLYZGOSULT-UHFFFAOYSA-N

物化性质

• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  154
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  二异丙胺 、 N,N'-di-tert-butoxycarbonyl-6-nitro-1H-benzotriazole-1-carboxamidine 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 N,N'-bis(tert-butoxycarbonyl)-N'',N''-diisopropylguanidine
  参考文献：
  名称：

  N,N‘-Di-tert-butoxycarbonyl-1H- benzotriazole-1-carboxamidine Derivatives Are Highly Reactive Guanidinylating Reagents

  摘要：

  [GRAPHICS]By enhancing the leaving group character of benzotriazole via electron-withdrawing substituents such as the 5-chloro or 6-nitro derivatives with the related N,N'-di-tert butoxycarbonyl-1H-benzotriazole-1-carboxamidines, highly efficient reagents are obtained for conversion of primary and secondary amines in solution and in solid phase to diprotected guanidines.

  DOI：

  10.1021/ol010191q
• 作为产物：
  描述：

  N,N′-二-Boc-硫脲 、 5-硝基苯并三唑 在 三乙胺 、 mercury dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以50%的产率得到N,N'-di-tert-butoxycarbonyl-6-nitro-1H-benzotriazole-1-carboxamidine
  参考文献：
  名称：

  N,N‘-Di-tert-butoxycarbonyl-1H- benzotriazole-1-carboxamidine Derivatives Are Highly Reactive Guanidinylating Reagents

  摘要：

  [GRAPHICS]By enhancing the leaving group character of benzotriazole via electron-withdrawing substituents such as the 5-chloro or 6-nitro derivatives with the related N,N'-di-tert butoxycarbonyl-1H-benzotriazole-1-carboxamidines, highly efficient reagents are obtained for conversion of primary and secondary amines in solution and in solid phase to diprotected guanidines.

  DOI：

  10.1021/ol010191q

文献信息

• Dendrimers as molecular translocators
  申请人：Goodman Murray

  公开号：US20060216265A1

  公开（公告）日：2006-09-28

  Transport molecules include a dendrimer and a biologically active molecule. The dendrimer of such transport molecules includes at least one guanidine group, at least one protonated guanidine group, at least one protected guanidine group, at least one amidine group, at least one protonated amidine group, at least one protected amidine group, at least one ureido group, at least one protonated ureido group, at least one protected ureido group, at least one thioureido group, at least one protonated thioureido group, or at least one protected thioureido group. The biologically active molecule is bonded to the dendrimer. A method of increasing the bioavailability of a drug includes bonding the drug to a dendrimer of the invention.

  转运分子包括一种树枝状聚合物和一种生物活性分子。这些转运分子的树枝状聚合物包括至少一个胍基团、至少一个质子化的胍基团、至少一个保护的胍基团、至少一个酰胺基团、至少一个质子化的酰胺基团、至少一个保护的酰胺基团、至少一个脲基团、至少一个质子化的脲基团、至少一个保护的脲基团、至少一个硫脲基团、至少一个质子化的硫脲基团，或至少一个保护的硫脲基团。生物活性分子与树枝状聚合物结合。一种增加药物生物利用度的方法包括将药物与本发明的树枝状聚合物结合。
• Dendrimers as Molecular Translocators
  申请人：Goodman Murray

  公开号：US20080221020A1

  公开（公告）日：2008-09-11

  Transport molecules include a dendrimer and a biologically active molecule. The dendrimer of such transport molecules includes at least one guanidine group, at least one protonated guanidine group, at least one protected guanidine group, at least one amidine group, at least one protonated amidine group, at least one protected amidine group, at least one ureido group, at least one protonated ureido group, at least one protected ureido group, at least one thioureido group, at least one protonated thioureido group, or at least one protected thioureido group. The biologically active molecule is bonded to the dendrimer. A method of increasing the bioavailability of a drug includes bonding the drug to a dendrimer of the invention.

  运输分子包括一个树状分子和一个生物活性分子。这种运输分子的树状分子包括至少一个鸟氨酸基团，至少一个质子化的鸟氨酸基团，至少一个保护的鸟氨酸基团，至少一个酰胺基团，至少一个质子化的酰胺基团，至少一个保护的酰胺基团，至少一个尿素基团，至少一个质子化的尿素基团，至少一个保护的尿素基团，至少一个硫脲基团，至少一个质子化的硫脲基团，或者至少一个保护的硫脲基团。生物活性分子与树状分子结合。一种增加药物生物利用度的方法包括将药物与本发明的树状分子结合。
• DENDRIMERS AS MOLECULAR TRANSLOCATORS
  申请人：The Regents of the University of California

  公开号：EP1545462A2

  公开（公告）日：2005-06-29
• EP1545462A4
  申请人：——

  公开号：EP1545462A4

  公开（公告）日：2007-08-08
• US7862807B2
  申请人：——

  公开号：US7862807B2

  公开（公告）日：2011-01-04