3,5-dimethylpyridine conjugate acid | 19495-57-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3,5-dimethylpyridine conjugate acid
• 英文别名: 3,5-lutidinium；3,5-dimethyl-pyridinium cation；3,5-Dimethylpyridinium；3,5-Dimethylpyridin-1-ium
• CAS: 19495-57-9
• 化学式: C₇H₁₀N
• 分子量: 108.163
• InChiKey: HWWYDZCSSYKIAD-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  14.1
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  antimony(III) trioxide 、 3,5-dimethylpyridine conjugate acid 、 氢溴酸 、 溴 反应 12.0h， 以79%的产率得到
  参考文献：
  名称：

  溴代和多溴代锑酸酯 (V)：杂化富卤金属卤化物骨架的结构和理论研究

  摘要：

  阳离子依赖性反应“[SbBr 6 ] 3− +Br 2 +HBr+CationBr x ”导致形成具有零、一、二维或三维超分子骨架和不同 Br/Sb 的溴化物/多溴化物复合物比率（最多 11）。代表六种结构类型的七种新化合物通过 XRD 和热重分析进行表征，DFT 计算能够估计 Br⋅⋅⋅Br 接触的能量 (1.1–4.6 kcal mol -1 )。

  DOI：

  10.1002/chem.201801338
• 作为产物：
  描述：

  3,5-二甲基吡啶 、 9,10-dihydro-10-methylacridine 以 乙腈 为溶剂， 生成 3,5-dimethylpyridine conjugate acid 、 10-Methylacridan radical
  参考文献：
  名称：

  Hapiot, Philippe; Moiroux, Jacques; Savéant, Jean-Michel, Journal of the American Chemical Society, 1990, vol. 112, # 4, p. 1337 - 1343

  摘要：

  DOI：

文献信息

• Steric and Kinetic Isotope Effects in the Deprotonation of Cation Radicals of NADH Synthetic Analogs
  作者：Agnes Anne、Sylvie Fraoua、Philippe Hapiot、Jacques Moiroux、Jean-Michel Saveant

  DOI：10.1021/ja00133a014

  日期：1995.7

  The deprotonation rate constants and kinetic isotope effects of the cation radicals have been determined by combined use of direct electrochemical techniques at micro- and ultramicroelectrodes, redox catalysis, and laser flash photolysis, over a extended series of opposing bases. Significant steric hindrance to deprotonation results from encumbering of the opposing base and of the functional carbon in the cation radical by alkyl groups. Kinetic isotope effects, ranging from 2 to 12 in terms of k(H)/k(D), appear upon substituting H to D at the functional carbon of the cation radical. The modest magnitude of the kinetic isotope effects and the fact that they are insensitive to steric hindrance show that proton (or H-atom) tunneling does not interfere significantly in the deprotonation reaction. All the cation radicals in the methylacridan series are strong acids, with pK(a)'s ranging from 0.8 to 1.7, as determined from thermodynamic cycles involving measured standard potentials and hydride-transfer equilibrium constants.
• Hapiot, Philippe; Moiroux, Jacques; Savéant, Jean-Michel, Journal of the American Chemical Society, 1990, vol. 112, # 4, p. 1337 - 1343
  作者：Hapiot, Philippe、Moiroux, Jacques、Savéant, Jean-Michel

  DOI：——

  日期：——
• Bromo‐ and Polybromoantimonates(V): Structural and Theoretical Studies of Hybrid Halogen‐Rich Halometalate Frameworks
  作者：Sergey A. Adonin、Mikhail A. Bondarenko、Pavel A. Abramov、Alexander S. Novikov、Pavel E. Plyusnin、Maxim N. Sokolov、Vladimir P. Fedin

  DOI：10.1002/chem.201801338

  日期：2018.7.17

  Cation‐dependent reactions “[SbBr6]3−+Br2+HBr+CationBrx” result in the formation of bromide/polybromide complexes with zero‐, one‐, two‐, or three‐dimensional supramolecular frameworks and different Br/Sb ratios (up to 11). Seven new compounds representing six structural types were characterized by XRD and thermogravimetric analysis and DFT calculations enabled estimation of the energies of the Br⋅⋅⋅Br

  阳离子依赖性反应“[SbBr 6 ] 3− +Br 2 +HBr+CationBr x ”导致形成具有零、一、二维或三维超分子骨架和不同 Br/Sb 的溴化物/多溴化物复合物比率（最多 11）。代表六种结构类型的七种新化合物通过 XRD 和热重分析进行表征，DFT 计算能够估计 Br⋅⋅⋅Br 接触的能量 (1.1–4.6 kcal mol -1 )。