N-carbetoxymethyl-N-methylmorpholinium chloride | 14068-56-5

• 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: N-carbetoxymethyl-N-methylmorpholinium chloride
• 英文别名: ethyl N-methylmorpholiniumacetate chloride；ethyl 2-(4-methylmorpholin-4-ium-4-yl)acetate chloride；Ethyl 2-(4-methylmorpholin-4-ium-4-yl)acetate;chloride；ethyl 2-(4-methylmorpholin-4-ium-4-yl)acetate;chloride
• CAS: 14068-56-5
• 化学式: C₉H₁₈NO₃*Cl
• 分子量: 223.7
• InChiKey: GMWNFVPZUXXIBZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.97
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-carbetoxymethyl-N-methylmorpholinium chloride 在 anion-exchange resin 、 basic form 作用下， 以 水 为溶剂， 以92%的产率得到(N-carboxymethyl)-N-methylmopholinium inner salt
  参考文献：
  名称：

  Crystal structure and spectroscopic properties of N-methylmorpholine betaine phosphate

  摘要：

  The crystal and molecular structure of N-methylmorpholine betaine phosphate was solved by X-ray diffraction and four O .H .O hydrogen bonds were found. Two hydrogen atoms of phosphoric acid link both oxygen atoms of the N-methylmorpholine betaine by one short (O . . .O = 2.466(3) Angstrom) and one longer (O . . .O = 2.557(3) Angstrom) hydrogen bonds. The third hydrogen atom of phosphoric acid occupies the special position in the inversion centers of the unit cell and links PO4 groups by two short and symmetrical hydrogen bonds (2.464(3) and 2.444(3) Angstrom) into infinite chains parallel to the x-axis. The FTIR spectrum of the complex shows a broad and intense absorption in the 3000-400 cm(-1) region. Two different isotope effects (nu OH/nu OD) suggest that the absorption of the longer hydrogen bond is located in the 3000-1600 cm(-1) region, but that attributed to the shorter hydrogen bonds is in the 1600-400 cm(-1) region. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(00)00588-3
• 作为产物：
  描述：

  N-甲基吗啉 、 氯乙酸乙酯 以 乙醚 为溶剂， 生成 N-carbetoxymethyl-N-methylmorpholinium chloride
  参考文献：
  名称：

  N-甲基吗啉甜菜碱盐酸盐与乙腈的3:2包合物的结构和氢键

  摘要：

  摘要 N-甲基吗啉甜菜碱盐酸盐(MMB·HCl)与乙腈形成3:2的包合物。该化合物的晶体结构已在 100 K 下由孪晶晶体确定为具有空间群 P 3 的三角形；a=b=16.767(2), c=6.996(1) A , γ=120°。主体框架由氯阴离子和质子化的、在羧酸根基团处的甜菜碱阳离子形成的离子对构成。阳离子和阴离子通过长度为 2.974(2) A 和角度为 173(3)° 的 O–H⋯Cl− 氢键连接。客体分子包含在主体基质中形成的两种通道中。窄通道在 x=2/3、y=1/3 处平行于 z 轴，并充满位于三重轴的乙腈分子。第二个通道也平行于 z 轴，连接中心为 0,0 的大空腔，3 对称性的 1/2。空腔容纳两个在晶体中表现出无序的客体分子。主人和客人之间只有范德瓦尔斯互动。讨论了MMB·HCl及其氘代类似物的FTIR光谱。

  DOI：

  10.1016/s0022-2860(01)00795-5

文献信息

• [EN] BLEACH CATALYSTS<br/>[FR] CATALYSEURS DE BLANCHIMENT
  申请人：BASF SE

  公开号：WO2012080088A1

  公开（公告）日：2012-06-21

  The present invention relates to specific acylhydrazone compounds, their use as oxidation catalysts and to a process for removing stains and soil on textiles and hard surfaces. The compounds are substituted with a specific cyclic ammonium group adjacent to the acyl group. Further aspects of the invention are compositions or formulations comprising such compounds.

  本发明涉及特定的酰基腙化合物，它们作为氧化催化剂的用途以及用于去除纺织品和硬表面上的污渍和污垢的过程。这些化合物在酰基旁边被特定的环氨基取代。发明的其他方面是包含这些化合物的组合物或配方。
• Bleach catalysts
  申请人：BASF SE

  公开号：EP2805942A1

  公开（公告）日：2014-11-26

  The present invention relates to specific acylhydrazone compounds, their use as oxidation catalysts and to a process for removing stains and soil on textiles and hard surfaces. The compounds are substituted with a specific cyclic ammonium group adjacent to the acyl group. Further aspects of the invention are compositions or formulations comprising such compounds.

  本发明涉及特定的酰基腙化合物、其作为氧化催化剂的用途以及去除纺织品和硬表面污渍和污垢的工艺。这些化合物在酰基附近被特定的环状铵基取代。本发明的其他方面是包含此类化合物的组合物或制剂。
• BLEACH CATALYSTS
  申请人：BASF SE

  公开号：EP2651907A1

  公开（公告）日：2013-10-23
• EP2651907B1
  申请人：——

  公开号：EP2651907B1

  公开（公告）日：2014-10-01
• Bleach Catalysts
  申请人：BASF SE

  公开号：US20160136627A1

  公开（公告）日：2016-05-19

  The present invention relates to specific acylhydrazone compounds, their use as oxidation catalysts and to a process for removing stains and soil on textiles and hard surfaces. The compounds are substituted with a specific cyclic ammonium group adjacent to the acyl group. Further aspects of the invention are compositions or formulations comprising such compounds.