compound 28 | 842128-23-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: compound 28
• 英文别名: 3-(3-fluorophenyl)-N-[3-(1-methyltetrazol-5-yl)phenyl]triazolo[4,5-d]pyrimidin-5-amine
• CAS: 842128-23-8
• 化学式: C₁₈H₁₃FN₁₀
• 分子量: 388.367
• InChiKey: HGXDLGQMBHVAMO-UHFFFAOYSA-N

物化性质

• 沸点：
  675.2±65.0 °C(Predicted)
• 密度：
  1.61±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为试剂：
  描述：

  (2R,3S,6S)-6-[(1S)-1-[(2R,3S,6S)-6-[(1S)-1-[(2R,3S,6S)-6-[(1S)-1-hydroxyethyl]-3-methyl-3,6-dihydro-2H-pyran-2-carbonyl]oxyethyl]-3-methyl-3,6-dihydro-2H-pyran-2-carbonyl]oxyethyl]-3-methyl-3,6-dihydro-2H-pyran-2-carboxylic acid 在 4-二甲氨基吡啶 、 compound 28 作用下， 以 甲苯 为溶剂， 以17%的产率得到(1R,4S,5S,8S,9R,12S,13S,16S,17R,20S,21S,24S,25R,28S,29S,32S,33R,36S,37S,40S,41R,44S,45S,48S)-4,8,12,16,20,24,28,32,36,40,44,48-dodecamethyl-3,11,19,27,35,43,49,50,51,52,53,54-dodecaoxaheptacyclo[43.3.1.15,9.113,17.121,25.129,33.137,41]tetrapentaconta-6,14,22,30,38,46-hexaene-2,10,18,26,34,42-hexone
  参考文献：
  名称：

  Cyclic hydropyran oligolides as preorganized ligand arrays: Modular assembly of 18-, 24-, 36-, 48-, 54- and 72-membered rings via iteration and cyclooligomerization

  摘要：

  Modular assembly routes to cyclic hydropyran oligolides of diverse structures are described. Macrolactonization of the appropriate tris(hydropyran) hydroxy acid provided compounds 1-8, whereas macrocycles 9-13 resulted from the cyclodimerization, cyclotrimerization, and cyclotetramerization of the bis- or tris(hydropyran) seco acids, utilizing the ''normal'' or ''modified'' Yamaguchi lactonization conditions.

  DOI：

  10.1016/0040-4039(95)02168-x