4-溴-1-丁醇-D8 | 136091-68-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-溴-1-丁醇-D8
• 英文名称: 1,1,2,2,3,3,4,4-d8-4-bromobutan-1-ol
• 英文别名: 4-Bromo-1-butanol-1,1,2,2,3,3,4,4-D8；4-bromo-1,1,2,2,3,3,4,4-octadeuteriobutan-1-ol
• CAS: 136091-68-4
• 化学式: C₄H₉BrO
• 分子量: 160.955
• InChiKey: SIJLYRDVTMMSIP-SVYQBANQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  6
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-溴-1-丁醇-D8 在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以83%的产率得到4-Azido-1,1,2,2,3,3,4,4-octadeuteriobutan-1-ol
  参考文献：
  名称：

  [EN] SUBSTITUTED DIPHENYLPYRAZINE DERIVATIVES
  [FR] DÉRIVÉS DE DIPHÉNYLPYRAZINE SUBSTITUÉS

  摘要：

  本发明涉及新型的取代二苯并吡嗪及其可药用盐。本发明还提供了包含本发明化合物的组合物，以及将这些组合物用于治疗通过施用PGI2受体激动剂有益地治疗的疾病和状况的方法。

  公开号：

  WO2011017612A1
• 作为产物：
  描述：

  氘代四氢呋喃 在 硫酸 、 氢溴酸 作用下， 以86%的产率得到4-溴-1-丁醇-D8
  参考文献：
  名称：

  Unusual Adsorption at the Air–Water Interface of a Zwitterionic Carboxybetaine with a Large Charge Separation

  摘要：

  The structures of layers of three different dodecylcarboxybetaine surfactants adsorbed at the air water interface have been determined by neutron reflection. The zwitterionic compounds differed in the length of the spacer separating the quaternary ammonium and carboxylate groups, which was (CH2)(1), (CH2)(4), or (CH2)(8). The limiting area per molecule was found to be 45, 52, or 84 angstrom(2), respectively, and compared reasonably with results from surface tension showing that the Gibbs prefactor is 1 in each case. Isotopic labeling was used to distinguish between the position of the alkyl and spacer groups in the layer. The spacer was found to be well-immersed in water for the (CH2)(1) and (CH2)(4) spacers but significantly above water for the (CH2)(8) spacer. The distribution of the (CH2)(8) spacer along the surface normal was found to be similar to that of the dodecyl group; i.e., it projects out of the water, contrary to an earlier hypothesis that it forms a loop. Comparison of the overlap of water with dodecyl and spacer groups also indicates that the (CH2)(8) spacer is well out of the water. This in turn suggests that the anionic carboxylic acid group, which is dissociated in solution, is not ionized in the adsorbed layer. A further observation is that the dodecylcarboxybetaine with the (CH2)(8) spacer reaches surface saturation at one-tenth of the critical micelle concentration. This is highly unusual and is attributed to the long spacer destabilizing the micelle relative to the surface layer.

  DOI：

  10.1021/acs.langmuir.6b00074

文献信息

• [EN] SUBSTITUTED DIPHENYLPYRAZINE DERIVATIVES<br/>[FR] DÉRIVÉS DE DIPHÉNYLPYRAZINE SUBSTITUÉS
  申请人：CONCERT PHARMACEUTICALS INC

  公开号：WO2011017612A1

  公开（公告）日：2011-02-10

  This invention relates to novel substituted diphenylpyrazines and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering a PGI2 receptor agonist.

  本发明涉及新型的取代二苯并吡嗪及其可药用盐。本发明还提供了包含本发明化合物的组合物，以及将这些组合物用于治疗通过施用PGI2受体激动剂有益地治疗的疾病和状况的方法。
• Unusual Adsorption at the Air–Water Interface of a Zwitterionic Carboxybetaine with a Large Charge Separation
  作者：Kun Ma、Pei Xun Li、Chu Chuan Dong、Robert K. Thomas、Jeffrey Penfold

  DOI：10.1021/acs.langmuir.6b00074

  日期：2016.4.12

  The structures of layers of three different dodecylcarboxybetaine surfactants adsorbed at the air water interface have been determined by neutron reflection. The zwitterionic compounds differed in the length of the spacer separating the quaternary ammonium and carboxylate groups, which was (CH2)(1), (CH2)(4), or (CH2)(8). The limiting area per molecule was found to be 45, 52, or 84 angstrom(2), respectively, and compared reasonably with results from surface tension showing that the Gibbs prefactor is 1 in each case. Isotopic labeling was used to distinguish between the position of the alkyl and spacer groups in the layer. The spacer was found to be well-immersed in water for the (CH2)(1) and (CH2)(4) spacers but significantly above water for the (CH2)(8) spacer. The distribution of the (CH2)(8) spacer along the surface normal was found to be similar to that of the dodecyl group; i.e., it projects out of the water, contrary to an earlier hypothesis that it forms a loop. Comparison of the overlap of water with dodecyl and spacer groups also indicates that the (CH2)(8) spacer is well out of the water. This in turn suggests that the anionic carboxylic acid group, which is dissociated in solution, is not ionized in the adsorbed layer. A further observation is that the dodecylcarboxybetaine with the (CH2)(8) spacer reaches surface saturation at one-tenth of the critical micelle concentration. This is highly unusual and is attributed to the long spacer destabilizing the micelle relative to the surface layer.