methylallylbenzylphenylammonium bromide | 1024-03-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methylallylbenzylphenylammonium bromide
• 英文别名: (+/-)-N-methyl-N-allyl-N-benzyl-anilinium; bromide；(+/-)-N-Methyl-N-allyl-N-benzyl-anilinium; Bromid；(+/-)-N-Allyl-N-benzyl-N-methyl-anilinium; Bromid；Allyl benzyl methyl phenyl ammonium bromide；benzyl-methyl-phenyl-prop-2-enylazanium;bromide
• CAS: 1024-03-9
• 化学式: Br*C₁₇H₂₀N
• 分子量: 318.257
• InChiKey: CNSALXQYMUTYGI-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  methylallylbenzylphenylammonium bromide 在 sodium iodide 作用下， 以100%的产率得到d-benzylphenyl-allylmethylammonium iodide
  参考文献：
  名称：

  Lamellar Racemic Twinning as an Obstacle for the Resolution of Enantiomers by Crystallization:  The Case of Me(All)N⁺(CH₂Ph)Ph X^- (X = Br, I) Salts

  摘要：

  Ammonium salts Me(All)N+(CH2Ph)Ph X- (X = Br, 1; X = I, 2) (Asymmetric nitrogen, communication 89, prev. see Kostyanovsky, R. G.; Kostyanovsky, V. R.; Kadorkina, G. K.; Lyssenko, K. A. Mendeleev Commun. 2003, 111) were historically the first compounds with a chiral nitrogen center obtained in optically pure forms via diastereoisomers. We were astonished by the fact that W. J. Pope, who first carried out the resolution (1899), mentioned in his articles that salts have features for conglomerate formation but nowhere did he note the registration of optical activity and manual sorting of left- and right-handed single crystals. We reinvestigated these salts with the help of X-ray diffraction and found that the space groups of both of them are P2(1)2(1)2(1). However, despite the chiral space group, the enantiomeric composition of the majority of the crystals obtained by crystallization from solutions of racemates was found to be near racemic. Such crystal growth behavior, called lamellar twinning between enantiomers, represents a serious obstacle to the methods of enantiomeric resolution by straightforward crystallization that are used in the chiral industry. The phenomenon probably results from a high concentration in solution of heterochiral growth clusters, which promote the formation of the intergrowth region of twins. To glance experimentally at what might possibly be the first crystal growth units, electrospray ionization FT-ICR mass spectrometry was applied. We were able to register polyionic clusters containing up to five chiral cations. The relative stability of the simplest dimeric clusters (two cations linked by an anion) of 1 with homo- and heterochiral composition was estimated with a B3LYP/SDD calculation, and heterochiral one was found to be more stable by 0.883 kcal/mol.

  DOI：

  10.1021/jp035588l
• 作为产物：
  描述：

  N,N-甲基苄基苯胺 、 3-溴丙烯 生成 methylallylbenzylphenylammonium bromide
  参考文献：
  名称：

  A New Voice or a Waste of Time? Wage Premiums from Using Computers for Communication in the UK Workplace

  摘要：

  The paper uses the Workplace Employee Relations Survey data on workers to investigate the wage premium from using e‐mail in the workplace against other more traditional forms of communication. I try to discern whether the existence of a premium from using e‐mail is the product of the workplace encouraging worker productivity through voice, or represents unobserved worker skills in using new technology. Results indicate that any observed premium from using e‐mail is likely to arise from unobserved worker skills, and that any premium associated with voice in the workplace is likely to result from management choosing to reward such worker involvement.

  DOI：

  10.1111/1467-8543.00199

文献信息

• v. Halban, Zeitschrift fur Elektrochemie und angewandte physikalische Chemie, 1907, vol. 13, p. 57
  作者：v. Halban

  DOI：——

  日期：——