4-N,N,N-trimethylammonium-n-butylic acid ethyl ester bromide | 68367-39-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-N,N,N-trimethylammonium-n-butylic acid ethyl ester bromide
• 英文别名: N-(3-Ethoxycarbonylpropyl)-N,N,N-trimethylammonium；(4-ethoxy-4-oxobutyl)-trimethylazanium;bromide
• CAS: 68367-39-5
• 化学式: Br*C₉H₂₀NO₂
• 分子量: 254.167
• InChiKey: AHXWBLAJUCBGOG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.96
• 重原子数：
  13.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4-N,N,N-trimethylammonium-n-butylic acid ethyl ester bromide 在 Amberlite IRA₄₀₀ (OH^- form) 作用下， 以 水 为溶剂， 生成 (3-ethoxycarbonyl-propyl)-trimethyl-ammonium; hydroxide
  参考文献：
  名称：

  柔性两性离子分子在溶液中的电荷距离

  摘要：

  DOI：

  10.1021/j100368a013
• 作为产物：
  描述：

  4-溴丁酸乙酯 、 三甲胺 以 甲醇 、 水 为溶剂， 反应 15.0h， 生成 4-N,N,N-trimethylammonium-n-butylic acid ethyl ester bromide
  参考文献：
  名称：

  柔性两性离子分子在溶液中的电荷距离

  摘要：

  DOI：

  10.1021/j100368a013

文献信息

• Structural effect of synthetic zwitterionic cosolutes on the stability of DNA duplexes
  作者：Kazuya Koumoto、Hirofumi Ochiai、Naoki Sugimoto

  DOI：10.1016/j.tet.2007.10.060

  日期：2008.1

  The molecular design of useful cosolutes for polymerase chain reaction (PCR), which is one of the most important techniques in molecular biology, plays a significant role in amplification of highly stable genome sequences because during PCR, strand dissociation sometimes fails due to high melting temperature. Here, we designed and synthesized eight new zwitterionic cosolutes derived from glycine betaine, a destabilizing reagent for GC-rich DNA duplexes, and systematically compared their ability to destabilize DNA duplexes and to amplify genome DNA by PCR. We found that introduction of n-butyl groups rather than methyl groups into the ammonium group reduced the melting temperature of DNA duplexes 11-fold more than what was observed for the scaffold cosolute, glycine betaine, and furthermore, the cosolute can amplify the stable genome sequence by PCR. (c) 2007 Elsevier Ltd. All rights reserved.
• Dipolar micelles. 8. Hydrolysis of substituted phenyl esters in a hydroxamic acid surfactant
  作者：A. Pillersdorf、J. Katzhendler

  DOI：10.1021/jo01318a016

  日期：1979.2
• BREGOFF; ROBERTS; DELWICHE, Journal of Biological Chemistry, 1953, vol. 205, # 2, p. 565 - 574
  作者：BREGOFF、ROBERTS、DELWICHE

  DOI：——

  日期：——
• AOYANAGI, MUNEHO;TODANI, KODZIRO;OKURA, NOBUYUKI;YAMAMURA, MASAAKI;MURATA+
  作者：AOYANAGI, MUNEHO、TODANI, KODZIRO、OKURA, NOBUYUKI、YAMAMURA, MASAAKI、MURATA+

  DOI：——

  日期：——