4-[3,5-Bis(4-hydroxybutyl)-1,3,5-triazinan-1-yl]butan-1-ol | 867315-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 英文名称: 4-[3,5-Bis(4-hydroxybutyl)-1,3,5-triazinan-1-yl]butan-1-ol
• CAS: 867315-14-8
• 化学式: C₁₅H₃₃N₃O₃
• 分子量: 303.445
• InChiKey: BXPASJYLBOQLNQ-UHFFFAOYSA-N

物化性质

• 沸点：
  466.6±45.0 °C(Predicted)
• 密度：
  1.068±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  21
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  70.4
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[3,5-Bis(4-hydroxybutyl)-1,3,5-triazinan-1-yl]butan-1-ol 、 3-hydroxy-1,2-diphenylprop-2-en-1-one 以 甲醇 为溶剂， 反应 3.0h， 以79%的产率得到1-(4-hydroxybutyl)-4,5-diphenyl-1H-imidazole 3-Oxide
  参考文献：
  名称：

  Regioselective Synthesis of 1,5-Diaryl-2-(Hydroxyalkyl)-8-Methylglycolurils

  摘要：

  The cyclocondensation of N-methylurea with derivatives of tetrahydroimidazooxazolone, tetrahydro-imidazooxazinone, dihydroimidazooxazinone, and tetrahydroimidazooxazepinone was studied for the first time. It was shown that the reactions take place with high regioselectivity, are regular in character, and lead to the formation of previously inaccessible 1,5-diaryl-2-(hydroxyalkyl)-8-methylglycolurils with high yields.

  DOI：

  10.1007/s10593-014-1501-8
• 作为产物：
  描述：

  三聚甲醛 、 4-氨基-1-丁醇 以 甲醇 为溶剂， 生成 4-[3,5-Bis(4-hydroxybutyl)-1,3,5-triazinan-1-yl]butan-1-ol
  参考文献：
  名称：

  Regioselective Synthesis of 1,5-Diaryl-2-(Hydroxyalkyl)-8-Methylglycolurils

  摘要：

  The cyclocondensation of N-methylurea with derivatives of tetrahydroimidazooxazolone, tetrahydro-imidazooxazinone, dihydroimidazooxazinone, and tetrahydroimidazooxazepinone was studied for the first time. It was shown that the reactions take place with high regioselectivity, are regular in character, and lead to the formation of previously inaccessible 1,5-diaryl-2-(hydroxyalkyl)-8-methylglycolurils with high yields.

  DOI：

  10.1007/s10593-014-1501-8

文献信息

• Tri- and tetrasubstituted imidazoles as p38α mitogen-activated protein kinase inhibitors
  作者：Stefan Laufer、Dominik Hauser、Thomas Stegmiller、Claudia Bracht、Kathrin Ruff、Verena Schattel、Wolfgang Albrecht、Pierre Koch

  DOI：10.1016/j.bmcl.2010.09.012

  日期：2010.11

  The synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazoles as potent p38 alpha mitogen-activated protein kinase inhibitors is described. The trisubstituted imidazole series was found to be more potent than the tetrasubstituted imidazole series. Many of these compounds show low-nanomolar activities in the isolated p38 alpha MAP kinase inhibition assay. The structure-activity relationships between these two series are different and not comparable. (C) 2010 Elsevier Ltd. All rights reserved.
• Compositions thermodurcissables à base de prépolymère à groupements imides stables au stockage et procédé de préparation
  申请人：RHONE-POULENC CHIMIE

  公开号：EP0191706B1

  公开（公告）日：1988-08-24
• US4650719A
  申请人：——

  公开号：US4650719A

  公开（公告）日：1987-03-17
• US4788295A
  申请人：——

  公开号：US4788295A

  公开（公告）日：1988-11-29
• US4883883A
  申请人：——

  公开号：US4883883A

  公开（公告）日：1989-11-28