carboxymethyl-hexadecyl-dimethyl-ammonium; bromide | 5466-51-3

• 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: carboxymethyl-hexadecyl-dimethyl-ammonium; bromide
• 英文别名: [Hexadecyl(dimethyl)azaniumyl]acetate--hydrogen bromide (1/1)；2-[hexadecyl(dimethyl)azaniumyl]acetate;hydrobromide
• CAS: 5466-51-3
• 化学式: Br*C₂₀H₄₂NO₂
• 分子量: 408.463
• InChiKey: IREMTCHGSXGBMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  24
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2923900090

反应信息

• 作为反应物：
  描述：

  carboxymethyl-hexadecyl-dimethyl-ammonium; bromide 在 silver carbonate 作用下， 生成 氢氧化(羧甲基二甲基十六烷基铵)内盐
  参考文献：
  名称：

  Synthesis of N-Alkyldimethyl Derivatives of ω-Amino Acids

  摘要：

  DOI：

  10.1021/jo50015a004
• 作为产物：
  描述：

  十六烷基二甲基叔胺 、 溴乙酸甲酯 在 盐酸 作用下， 以 水 为溶剂， 反应 13.0h， 以93%的产率得到carboxymethyl-hexadecyl-dimethyl-ammonium; bromide
  参考文献：
  名称：

  Coupling of epoxides and carbon dioxide catalyzed by Brönsted acid ionic liquids

  摘要：

  A series of Bronsted acid ionic liquids (BAILS) containing a long chain Bronsted acid site in the cationic part and a Lewis basic site in the anionic part were designed, synthesized, and used as catalyst for the coupling of epoxides and carbon dioxide to cyclic carbonates without a co-catalyst or co-solvent. The effects of catalyst structure and other parameters on the catalytic performance were investigated. The long chain 2-(N,N-dimethyldodecylammonium) acetic acid bromide ([(CH2COOH)DMDA]Br) showed high catalytic activity and good reusability. This protocol was expanded to various epoxides, which gave the corresponding cyclic carbonates in good yields. The acidity of the catalyst influenced its catalytic activity. (C) 2015, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s1872-2067(14)60227-8

文献信息

• <i>N</i>-<i>n</i>-Alkyl <i>N,N</i>-dimethylammonioacetic acid bromides: the first complete series of crystal and molecular structure determinations of an amphiphilic compound with alkyl chain lengths <i>n</i> = 1,..., 16
  作者：Rainer Rudert、Burkhard Schulz、Günter Reck、Dieter Vollhardt、Jörg Kriwanek

  DOI：10.1107/s0108768199007740

  日期：2000.2.1

  The molecular and crystal structures of 16 N-n-alkyl N,N-dimethylammonioacetic acid bromides with chain lengths between n = 1 and n = 16 have been determined. All compounds from n = 5 to n = 16 form bilayers with interdigitated chains. The even-numbered chains display the chain packing type M2(II). The chain packing of the odd-numbered chain compounds is less regular. The head groups of all compounds

  已经确定了链长在n = 1和n = 16之间的16种Nn-烷基N，N-二甲基铵乙酸溴化物的分子和晶体结构。从n = 5到n = 16的所有化合物均形成具有叉指链的双层。偶数链显示链装填类型M2（II）。奇数链化合物的链堆积不太规则。所有化合物的头基均通过静电N + ... Br-相互作用以及OH ... Br-氢键连接。短链的化合物以不同的方式堆积。它们的分子构象取决于晶体堆积。
• Paleos, C.; Arkas, A.; Seghrouchni, R., Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1995, vol. 268, p. 179 - 182
  作者：Paleos, C.、Arkas, A.、Seghrouchni, R.、Skoulios, A.

  DOI：——

  日期：——
• Coupling of epoxides and carbon dioxide catalyzed by Brönsted acid ionic liquids
  作者：Tao Chang、Xiaorui Gao、Li Bian、Xiying Fu、Mingxia Yuan、Huanwang Jing

  DOI：10.1016/s1872-2067(14)60227-8

  日期：2015.3

  A series of Bronsted acid ionic liquids (BAILS) containing a long chain Bronsted acid site in the cationic part and a Lewis basic site in the anionic part were designed, synthesized, and used as catalyst for the coupling of epoxides and carbon dioxide to cyclic carbonates without a co-catalyst or co-solvent. The effects of catalyst structure and other parameters on the catalytic performance were investigated. The long chain 2-(N,N-dimethyldodecylammonium) acetic acid bromide ([(CH2COOH)DMDA]Br) showed high catalytic activity and good reusability. This protocol was expanded to various epoxides, which gave the corresponding cyclic carbonates in good yields. The acidity of the catalyst influenced its catalytic activity. (C) 2015, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.
• Synthesis of N-Alkyldimethyl Derivatives of ω-Amino Acids
  作者：Ansel P. Swain、Dean F. Braun、Sara K. Naegele

  DOI：10.1021/jo50015a004

  日期：1953.9