18-Bromopentatriacontane | 251921-60-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机溴化物
• 英文名称: 18-Bromopentatriacontane
• 英文别名: 18-bromopentatriacontane
• CAS: 251921-60-5
• 化学式: C₃₅H₇₁Br
• 分子量: 571.853
• InChiKey: NMGJAAWKILVHRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.7
• 重原子数：
  36
• 可旋转键数：
  32
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  18-Bromopentatriacontane 在 palladium on activated charcoal 正丁基锂 、 氢气 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 96.0h， 生成 18-Methylpentatriacontane
  参考文献：
  名称：

  Effects of Molecular Geometry on the STM Image Contrast of Methyl- and Bromo-Substituted Alkanes and Alkanols on Graphite

  摘要：

  Scanning tunneling microscopy (STM) images have been collected for a series of substituted alkanes and alkanols that form ordered overlayers at room temperature on highly ordered pyrolytic graphite surfaces. Molecules that have been imaged possess an internal bromide, with or without terminal alcohol groups (HO(CH2)(9)CHBr(CH2)(10)OH and H3C(CH2)(16)CHBr(CH2)(16)CH3), an internal -OH group (H3C(CH2)(16)CHOH(CH2)(16)CH3), and an internal methyl group (H3C(CH2)(16)CHCH3(CH2)(16)CH3). These data allow comparison to the STM image contrast reported previously for molecules in which -OH, -Br, and -CH3 groups were located in terminal positions of alkane chains adsorbed onto graphite surfaces. When the functional groups were in gauche positions relative to the alkyl chain, and thus produced molecular features that protruded toward the tip, the functional groups were observed to produce bright regions in a constant current STM image, regardless of the STM contrast behavior observed for these same functional groups when they were in terminal positions of adsorbed alkyl chains. These observations are in excellent agreement with theoretical predictions of the STM behavior of such systems. Additionally, several interesting packing structures have been observed that have yielded insight into the intermolecular forces that control the packing displayed by these overlayers.

  DOI：

  10.1021/jp992257t
• 作为产物：
  描述：

  三十五烷-18-醇 在 溴 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以65%的产率得到18-Bromopentatriacontane
  参考文献：
  名称：

  Effects of Molecular Geometry on the STM Image Contrast of Methyl- and Bromo-Substituted Alkanes and Alkanols on Graphite

  摘要：

  Scanning tunneling microscopy (STM) images have been collected for a series of substituted alkanes and alkanols that form ordered overlayers at room temperature on highly ordered pyrolytic graphite surfaces. Molecules that have been imaged possess an internal bromide, with or without terminal alcohol groups (HO(CH2)(9)CHBr(CH2)(10)OH and H3C(CH2)(16)CHBr(CH2)(16)CH3), an internal -OH group (H3C(CH2)(16)CHOH(CH2)(16)CH3), and an internal methyl group (H3C(CH2)(16)CHCH3(CH2)(16)CH3). These data allow comparison to the STM image contrast reported previously for molecules in which -OH, -Br, and -CH3 groups were located in terminal positions of alkane chains adsorbed onto graphite surfaces. When the functional groups were in gauche positions relative to the alkyl chain, and thus produced molecular features that protruded toward the tip, the functional groups were observed to produce bright regions in a constant current STM image, regardless of the STM contrast behavior observed for these same functional groups when they were in terminal positions of adsorbed alkyl chains. These observations are in excellent agreement with theoretical predictions of the STM behavior of such systems. Additionally, several interesting packing structures have been observed that have yielded insight into the intermolecular forces that control the packing displayed by these overlayers.

  DOI：

  10.1021/jp992257t

文献信息

• Effects of Molecular Geometry on the STM Image Contrast of Methyl- and Bromo-Substituted Alkanes and Alkanols on Graphite
  作者：Christopher L. Claypool、Francesco Faglioni、Adam J. Matzger、William A. Goddard、Nathan S. Lewis

  DOI：10.1021/jp992257t

  日期：1999.11.1

  Scanning tunneling microscopy (STM) images have been collected for a series of substituted alkanes and alkanols that form ordered overlayers at room temperature on highly ordered pyrolytic graphite surfaces. Molecules that have been imaged possess an internal bromide, with or without terminal alcohol groups (HO(CH2)(9)CHBr(CH2)(10)OH and H3C(CH2)(16)CHBr(CH2)(16)CH3), an internal -OH group (H3C(CH2)(16)CHOH(CH2)(16)CH3), and an internal methyl group (H3C(CH2)(16)CHCH3(CH2)(16)CH3). These data allow comparison to the STM image contrast reported previously for molecules in which -OH, -Br, and -CH3 groups were located in terminal positions of alkane chains adsorbed onto graphite surfaces. When the functional groups were in gauche positions relative to the alkyl chain, and thus produced molecular features that protruded toward the tip, the functional groups were observed to produce bright regions in a constant current STM image, regardless of the STM contrast behavior observed for these same functional groups when they were in terminal positions of adsorbed alkyl chains. These observations are in excellent agreement with theoretical predictions of the STM behavior of such systems. Additionally, several interesting packing structures have been observed that have yielded insight into the intermolecular forces that control the packing displayed by these overlayers.