6,6-dideuterio-1-bromoheptane | 344244-37-7

• 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: 6,6-dideuterio-1-bromoheptane
• 英文别名: 1-bromo-6,6-dideuterioheptane
• CAS: 344244-37-7
• 化学式: C₇H₁₅Br
• 分子量: 181.084
• InChiKey: LSXKDWGTSHCFPP-CBTSVUPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  8.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  6,6-dideuterio-1-bromoheptane 在 sodium cyanide 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 6,6-dideuterio-1-cyanoheptane
  参考文献：
  名称：

  N-caprylammonium chloride: a solid membrane model

  摘要：

  n-Caprylammonium chloride (C8Cl) undergoes three thermotropic phase transitions between 304 and 311 K. Its high-temperature phases (beta, gamma, and alpha) are very disordered and resemble smectic mesophases found in biomembranes. The delta-phase (stable between 278 and 304 K) of C8Cl is studied by means of single-crystal X-my diffraction. Chlorine and nitrogen atoms form a 3-periodic arrangement, but the carbon atoms oscillate about the long axes of the n-caprylammonium chains. These exist as several conformers which can be approximated as a single, entirely extended chain. The cell of the delta-phase allowed us to index powder X-my photographs of the other phases of C8Cl and to deduce a structural description for them. Percentages of conformers, G forms, and GTG'/GTG sequences in the various phases are estimated from the analysis of characteristic IR and Raman bands, especially of the omega-bideuterated derivative. By a combination of our conclusions with previous NQR and NMR results, a rather complete picture of the phase transitions is deduced: they are brought about by the disordering of the aliphatic chains on one hand and of the hydrogen bonding scheme at the Cl-N interface on the other hand. The dynamics of these two subsystems behave quite differently indeed: changes in the chains occur very gradually, whereas variations in the interface happen quite abruptly. C8Cl successfully mimics the temperature dependence of the bilayer thickness, chain cross section, and order as well as thc chain separation/interdigitation transition in biological membranes.

  DOI：

  10.1021/j100192a064
• 作为产物：
  描述：

  6-d₂-1-heptanol 在 硫酸 、 氢溴酸 作用下， 生成 6,6-dideuterio-1-bromoheptane
  参考文献：
  名称：

  Boden, Neville; Bushby, Richard J.; Clark, Leslie D., Journal of the Chemical Society. Perkin transactions I, 1983, p. 543 - 551

  摘要：

  DOI：