3-[7,12-Bis-(3-amino-propoxy)-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononen-2-yloxy]-propylamine | 951403-22-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[7,12-Bis-(3-amino-propoxy)-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononen-2-yloxy]-propylamine
• CAS: 951403-22-8
• 化学式: C₃₃H₄₅N₃O₆
• 分子量: 579.737
• InChiKey: ZZYVFJHRLRGZGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  42.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  133.44
• 氢给体数：
  3.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  3-[7,12-Bis-(3-amino-propoxy)-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononen-2-yloxy]-propylamine 在 盐酸 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 乙醚 、 二氯甲烷 、 氯仿 为溶剂， 生成 (S)-2-Amino-4-methyl-pentanoic acid (3-{7,12-bis-[3-((S)-2-amino-4-methyl-pentanoylamino)-propoxy]-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononen-2-yloxy}-propyl)-amide
  参考文献：
  名称：

  Solution phase combinatorial chemistry using cyclotriveratrylene-based tripodal scaffolds

  摘要：

  A library consisting of 40 cyclotriveratrylene-based tripodal scaffold molecules was constructed by O-alkylation of the CTV-triol followed by coupling of one or two amino acids; apart from the wash steps in the work-up the reaction products did not require additional purification. Preliminary screening experiments revealed that a dansylated receptor molecule selectively bound N-acylated dipeptides, (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01979-6
• 作为产物：
  描述：

  2,7,12-trimethoxy-3,8,13-tris(N-Boc-aminopropoxy)-10,15-dihydro-5H-tribenzo[a,d,g]cyclononene 在 盐酸 作用下， 以 乙醚 、 氯仿 为溶剂， 生成 3-[7,12-Bis-(3-amino-propoxy)-3,8,13-trimethoxy-10,15-dihydro-5H-tribenzo[a,d,g]cyclononen-2-yloxy]-propylamine
  参考文献：
  名称：

  Solution phase combinatorial chemistry using cyclotriveratrylene-based tripodal scaffolds

  摘要：

  A library consisting of 40 cyclotriveratrylene-based tripodal scaffold molecules was constructed by O-alkylation of the CTV-triol followed by coupling of one or two amino acids; apart from the wash steps in the work-up the reaction products did not require additional purification. Preliminary screening experiments revealed that a dansylated receptor molecule selectively bound N-acylated dipeptides, (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)01979-6