thioacetic acid S-[10-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-octyloxy)-decyl] ester | 857370-07-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: thioacetic acid S-[10-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-octyloxy)-decyl] ester
• CAS: 857370-07-1
• 化学式: C₂₀H₂₅F₁₅O₂S
• 分子量: 614.459
• InChiKey: YMYPNSWXBVAAPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.78
• 重原子数：
  38.0
• 可旋转键数：
  18.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  thioacetic acid S-[10-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-octyloxy)-decyl] ester 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以74%的产率得到10-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyloxy)decane-1-thiol
  参考文献：
  名称：

  Alignment of Perfluorinated Supramolecular Columns on the Surfaces of Various Self-Assembled Monolayers

  摘要：

  We studied the orientation of the hexagonal columnar mesophase formed by self-organization of a perfluorinated supramolecular dendrimer containing a carboxyl (-COOH) headgroup and three perfluorinated (-CF3) tails at surfaces modified with self-assembled monolayers (SAMs). The SAM-modified surfaces studied were composed of an Au(111) substrate modified with one of five types of SAM. The SAM molecules used all had an -SH headgroup, but different terminal groups, (-CF3, -CH3, and -OH) and different spacer chain lengths. Atomic force microscopy (AFM), transmission electron microscopy (TEW and contact angle microscopy results revealed that the lattice parameters and structure of the perfluorinated supramolecular dendrimer are retained, but the orientation of the columns is strongly affected by the characteristics of the SAM surface. The supramolecular columns took on a planar alignment on the -CF3 and -OH terminated SAM surfaces, but exhibited a perpendicular orientation on the -CH3 terminated SAM surface. These variations in column alignment can be attributed to the types of molecular interactions between the terminal groups of the SAM molecules and the perfluorinated core/tails of the supramolecular columns. However, the surface morphology and orientation was not affected by changing the space chain length of the SAM molecules used.

  DOI：

  10.1021/ma050427w
• 作为产物：
  描述：

  2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-十五氟辛-1-醇 在 偶氮二异丁腈 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 thioacetic acid S-[10-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-octyloxy)-decyl] ester
  参考文献：
  名称：

  Alignment of Perfluorinated Supramolecular Columns on the Surfaces of Various Self-Assembled Monolayers

  摘要：

  We studied the orientation of the hexagonal columnar mesophase formed by self-organization of a perfluorinated supramolecular dendrimer containing a carboxyl (-COOH) headgroup and three perfluorinated (-CF3) tails at surfaces modified with self-assembled monolayers (SAMs). The SAM-modified surfaces studied were composed of an Au(111) substrate modified with one of five types of SAM. The SAM molecules used all had an -SH headgroup, but different terminal groups, (-CF3, -CH3, and -OH) and different spacer chain lengths. Atomic force microscopy (AFM), transmission electron microscopy (TEW and contact angle microscopy results revealed that the lattice parameters and structure of the perfluorinated supramolecular dendrimer are retained, but the orientation of the columns is strongly affected by the characteristics of the SAM surface. The supramolecular columns took on a planar alignment on the -CF3 and -OH terminated SAM surfaces, but exhibited a perpendicular orientation on the -CH3 terminated SAM surface. These variations in column alignment can be attributed to the types of molecular interactions between the terminal groups of the SAM molecules and the perfluorinated core/tails of the supramolecular columns. However, the surface morphology and orientation was not affected by changing the space chain length of the SAM molecules used.

  DOI：

  10.1021/ma050427w