| 1391369-48-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1391369-48-4
• 化学式: C₂₀H₃₀O₅
• 分子量: 350.455
• InChiKey: XQYJNNNQCZBEQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.78
• 重原子数：
  25.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  生成 5-(octyloxy)isophthalic acid
  参考文献：
  名称：

  A benzthiazole-based simple receptor in fluorescence sensing of biotin ester and urea

  摘要：

  A benzthiazole-based receptor 1 has been designed and synthesized for recognition of biotin ester and urea in CHCl3 containing 1% CH3CN. The receptor binds biotin methyl ester and urea with moderate binding constant values and shows significant increase in emission of benzthiazole motif The emission characteristics of 1 upon complexation clearly distinguishes biotin methyl ester and urea from thiourea and N,N'-dimethylurea. Characterization and sensing properties of the receptor 1 were evaluated by H-1 NMR, UV-vis, and fluorescence spectroscopic methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.117
• 作为产物：
  描述：

  1-溴辛烷 、 5-羟基间苯二甲酸二乙酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成
  参考文献：
  名称：

  A benzthiazole-based simple receptor in fluorescence sensing of biotin ester and urea

  摘要：

  A benzthiazole-based receptor 1 has been designed and synthesized for recognition of biotin ester and urea in CHCl3 containing 1% CH3CN. The receptor binds biotin methyl ester and urea with moderate binding constant values and shows significant increase in emission of benzthiazole motif The emission characteristics of 1 upon complexation clearly distinguishes biotin methyl ester and urea from thiourea and N,N'-dimethylurea. Characterization and sensing properties of the receptor 1 were evaluated by H-1 NMR, UV-vis, and fluorescence spectroscopic methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.117

文献信息

• Organogelators Derived from [3.3]Metacyclophane Skeleton with a Urea Unit
  作者：Akihiko Tsuge、Ryuichiro Matsushita、Katsuhiko Sakura、Tetsuji Moriguchi、Koji Araki

  DOI：10.1246/cl.2012.485

  日期：2012.5.5

  Dithia[3.3]metacyclophanes with a urea unit having long alkyl chains have been prepared. It has been found out that some of them give stable organogels in some solvents, and their gelating ability ...

  已经制备了具有长烷基链的尿素单元的二硫杂[3.3]元环芳烃。已经发现它们中的一些在某些溶剂中产生稳定的有机凝胶，并且它们的胶凝能力......