Tert-butyl 2-[3-[4-(bromomethyl)-2,6-dimethoxyphenyl]-5-decoxyphenoxy]acetate | 959215-90-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Tert-butyl 2-[3-[4-(bromomethyl)-2,6-dimethoxyphenyl]-5-decoxyphenoxy]acetate
• CAS: 959215-90-8
• 化学式: C₃₁H₄₅BrO₆
• 分子量: 593.599
• InChiKey: BHUHPEGKDGDYGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  38
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Tert-butyl 2-[3-[4-(bromomethyl)-2,6-dimethoxyphenyl]-5-decoxyphenoxy]acetate 、 Tert-butyl 2-[3-decoxy-5-[2,6-dihydroxy-4-(hydroxymethyl)phenyl]phenoxy]acetate 在 18-冠醚-6 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 以67%的产率得到Tert-butyl 2-[3-[2,6-bis[[4-[3-decoxy-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-3,5-dimethoxyphenyl]methoxy]-4-(hydroxymethyl)phenyl]-5-decoxyphenoxy]acetate
  参考文献：
  名称：

  Smaller Building Blocks Form Larger Assemblies:  Aggregation Behavior of Biaryl-Based Dendritic Facial Amphiphiles

  摘要：

  Synthesis and micellar behavior of biaryl-based benzyl ether dendritic molecules prepared from a new biaryl building block are described. The key objective of the study is to tune the size of individual dendritic molecules and investigate its effect on aggregation behavior of the resulting micelle-like assemblies. We show that the functional group placement in the building block influences flexibility of the dendritic backbone and interior volume available for packing the hydrophobic groups, which is reflected in different aggregation behavior and aggregate size of the two types of micellar assemblies.

  DOI：

  10.1021/jo070447r
• 作为产物：
  描述：

  ethyl 4-bromo-3,5-dimethoxybenzoate 在 bis-triphenylphosphine-palladium(II) chloride lithium aluminium tetrahydride 、 18-冠醚-6 、 四溴化碳 、 四丁基氟化铵 、 potassium carbonate 、 三苯基膦 、 sodium iodide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 74.0h， 生成 Tert-butyl 2-[3-[4-(bromomethyl)-2,6-dimethoxyphenyl]-5-decoxyphenoxy]acetate
  参考文献：
  名称：

  Smaller Building Blocks Form Larger Assemblies:  Aggregation Behavior of Biaryl-Based Dendritic Facial Amphiphiles

  摘要：

  Synthesis and micellar behavior of biaryl-based benzyl ether dendritic molecules prepared from a new biaryl building block are described. The key objective of the study is to tune the size of individual dendritic molecules and investigate its effect on aggregation behavior of the resulting micelle-like assemblies. We show that the functional group placement in the building block influences flexibility of the dendritic backbone and interior volume available for packing the hydrophobic groups, which is reflected in different aggregation behavior and aggregate size of the two types of micellar assemblies.

  DOI：

  10.1021/jo070447r

文献信息

• Smaller Building Blocks Form Larger Assemblies:  Aggregation Behavior of Biaryl-Based Dendritic Facial Amphiphiles
  作者：Ashootosh V. Ambade、Sivakumar V. Aathimanikandan、Derek van der Poll、S. Thayumanavan

  DOI：10.1021/jo070447r

  日期：2007.10.1

  Synthesis and micellar behavior of biaryl-based benzyl ether dendritic molecules prepared from a new biaryl building block are described. The key objective of the study is to tune the size of individual dendritic molecules and investigate its effect on aggregation behavior of the resulting micelle-like assemblies. We show that the functional group placement in the building block influences flexibility of the dendritic backbone and interior volume available for packing the hydrophobic groups, which is reflected in different aggregation behavior and aggregate size of the two types of micellar assemblies.