1-(carboxymethyl)-1-methylpyrrolidinium chloride

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-(carboxymethyl)-1-methylpyrrolidinium chloride
• 英文别名: 2-(1-Methylpyrrolidin-1-ium-1-yl)acetic acid;chloride
• 化学式: C₇H₁₄NO₂*Cl
• 分子量: 179.647
• InChiKey: FHAPKWAFAKFUMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.68
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(carboxymethyl)-1-methylpyrrolidinium chloride 在 Amberlite IRA 420 作用下， 以95%的产率得到2-(1-Methylpyrrolidin-1-ium-1-yl)acetate
  参考文献：
  名称：

  Synthesis, IR and NMR studies of zwitterionic ω-(1-pyrrolidine)alkanocarboxylic acids and their N-methyl derivatives

  摘要：

  Six omega-(1-pyrrolidine)alkanocarboxylic acid hydrohalides [C4H8N+H(CH2)(n)COOH . X-] and 1-(omega-carboxyalkyl)-1-methylpyrrolidinium hydrohalides [C4H8N+CH3(CH2)(n)COOH . X- (n = 1,2,3,4,5,10)] and their sodium and inner salts were synthesized, respectively. IR, H-1 and C-13 NMR spectra were analyzed with regard to the increasing distance effect on the interaction between the positive nitrogen atom with the negative carboxylic group. The configuration of the pyrrolidine ring was also discussed. (C) 1997 Elsevier Science B.V.

  DOI：

  10.1016/s0022-2860(97)00119-1
• 作为产物：
  描述：

  1-甲基吡咯烷 在 盐酸 作用下， 以 水 为溶剂， 反应 8.0h， 生成 1-(carboxymethyl)-1-methylpyrrolidinium chloride
  参考文献：
  名称：

  Synthesis, IR and NMR studies of zwitterionic ω-(1-pyrrolidine)alkanocarboxylic acids and their N-methyl derivatives

  摘要：

  Six omega-(1-pyrrolidine)alkanocarboxylic acid hydrohalides [C4H8N+H(CH2)(n)COOH . X-] and 1-(omega-carboxyalkyl)-1-methylpyrrolidinium hydrohalides [C4H8N+CH3(CH2)(n)COOH . X- (n = 1,2,3,4,5,10)] and their sodium and inner salts were synthesized, respectively. IR, H-1 and C-13 NMR spectra were analyzed with regard to the increasing distance effect on the interaction between the positive nitrogen atom with the negative carboxylic group. The configuration of the pyrrolidine ring was also discussed. (C) 1997 Elsevier Science B.V.

  DOI：

  10.1016/s0022-2860(97)00119-1

文献信息

• Toxicity and osmoprotective activities of analogues of glycine betaine obtained by solid phase organic synthesis towards Sinorhizobium meliloti
  作者：Anne Cosquer、Vianney Pichereau、Didier Le Mée、Myriam Le Roch、Jacques Renault、Bertrand Carboni、Philippe Uriac、Théophile Bernard

  DOI：10.1016/s0960-894x(98)00679-9

  日期：1999.1

  Seven analogues of the bacterial osmoprotectant glycine betaine (GB, trimethylammonioacetate), in which the methyl groups of the Me3N+ moiety are replaced by various substituents, were obtained by SPOS using Wang resin. Their biological activities (osmoprotection vs toxicity), appeared closely related to their uptake efficiency and their catabolism in the betaine-demethylating model bacterium Sinorhizobium meliloti. (C) 1998 Elsevier Science Ltd. All rights reserved.