13-crown-4 | 55471-29-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 13-crown-4
• 英文别名: 1,4,7,10-Tetraoxacyclotridecane
• CAS: 55471-29-9
• 化学式: C₉H₁₈O₄
• 分子量: 190.24
• InChiKey: ZYCZHMITGWGHQV-UHFFFAOYSA-N

物化性质

• 沸点：
  169 °C(Press: 25 Torr)
• 密度：
  0.976±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  europium(III) thiocyanate polyhydrate 、 13-crown-4 以 乙酸乙酯 为溶剂， 生成 Eu(isothiocyanate)3(13-crown-4)(H2O)2
  参考文献：
  名称：

  Studies on crown ether complexes—XXIX. synthesis and characterization of the complexes of lanthanide isothiocyanates with 13-crown-4

  摘要：

  The lanthanide isothiocyanate complexes with 13C4 have been prepared in ethyl acetate medium. These new complexes with the general formula [Ln(NCS)3(13C4)2H2O] (Ln = La, Pr-Tb, Er-Yb) have been characterized by elemental analysis, IR spectra, f-f hypersensitive transitions spectra, H-1 NMR spectra, conductivity measurements and TG-DTA techniques. In the complexes the ligand 13C4, isothiocyanate groups and water molecules are all coordinated to the metal ions.

  DOI：

  10.1016/s0277-5387(00)87184-3
• 作为产物：
  描述：

  三乙二醇二(对甲苯磺酸酯) 、 1,3-丙二醇 在 lithium hydroxide 、 sodium hydroxide 作用下， 生成 13-crown-4
  参考文献：
  名称：

  冠醚的分子设计。七、未取代的 12-至 16-Crown-4 的合成和阳离子选择性

  摘要：

  用标题化合物对碱水溶液和一些重金属苦味酸盐进行溶剂萃取表明，对于除 Li+、Na+ 和 Ag+ 外的大多数阳离子，随着环尺寸从 12 增加到 16，萃取率单调下降。 然而，14-crown-4与较大的碱金属相比，Li+ 的可萃取性和选择性最高，而 15-crown-4 的 Ag+/TI+ 选择性最高。

  DOI：

  10.1246/bcsj.63.3044

文献信息

• OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY, AND METHOD FOR PRODUCING ALPHA-AMINO ACID AND DERIVATIVE THEREOF BY USING THE SAME
  申请人：Maruoka Keiji

  公开号：US20100029935A1

  公开（公告）日：2010-02-04

  The present invention discloses an optically active quarternary ammonium salt having axial asymmetry and a method for producing an α-amino acid and a derivative thereof using the same. The optically active quarternary ammonium salt having axial asymmetry of the present invention is a chiral phase-transfer catalyst that has a simple structure and that can be produced in a smaller number of process steps. The compound of the present invention is very useful as a phase-transfer catalyst in the synthesis of an α-alkyl-α-amino acid and a derivative thereof as well as an α,α-dialkyl-α-amino acid and a derivative thereof. Therefore, the compound of the present invention can be used in the development of novel foods and pharmaceuticals.

  本发明公开了一种具有轴向不对称性的光学活性季铵盐，以及利用该季铵盐制备α-氨基酸及其衍生物的方法。本发明的具有轴向不对称性的光学活性季铵盐是一种手性相转移催化剂，具有简单的结构，并且可以在较少的工艺步骤中生产。本发明的化合物在合成α-烷基-α-氨基酸及其衍生物以及α,α-二烷基-α-氨基酸及其衍生物时非常有用作为相转移催化剂。因此，本发明的化合物可用于开发新型食品和药物。
• PROCESS FOR PRODUCTION OF MONO-SUBSTITUTED ALKYLATED COMPOUND USING ALDIMINE OR DERIVATIVE THEREOF
  申请人：Maruoka Keiji

  公开号：US20090054679A1

  公开（公告）日：2009-02-26

  The present invention provides a method for producing asymmetrical mono-substituted alkylated compounds of α-amino acids that are represented by a specific formula, using an aldimine-type Schiff base. In the method of the present invention, the process of alkylating an aldimine-type Schiff base in a medium in the presence of an optically-active quaternary ammonium salt phase-transfer catalyst and an inorganic base is initiated, and subsequently the reaction is quenched at a time earlier than a time for completion of the stoichiometric reaction of the alkylation reaction, so that a mono-substituted alkylated product with high optical purity can be obtained.

  本发明提供了一种使用醛亚胺型席夫碱制备α-氨基酸的不对称单取代烷基化合物的方法，其由特定的公式表示。在本发明的方法中，通过在存在光学活性季铵盐相转移催化剂和无机碱的介质中烷基化醛亚胺型席夫碱的过程，随后在达到化学计量反应完成时间之前的时间中止反应，从而可以获得具有高光学纯度的单取代烷基化产物。
• Studies On Rare-Earth Complexes with Crown Ethers. Part XXV. Synthesis, characterization, and structure of the complexes of lanthanide nitrates with 13-crown-4
  作者：Tongbu Lu、Xin Wang、Minyu Tan、Yu Liu、Yoshihisa Inoue、Tadao Hakushi

  DOI：10.1002/hlca.19930760117

  日期：1993.2.10

  The lanthanide nitrate complexes with 13-crown-4(13-C-4) have been prepared in AcOEt. These new complexes with the general formula Ln(NO3)3.(13-c-4) (Ln = La–Nd, Sm–Lu) have been characterized by means of elemental analysis, IR and 1H-NMR spectra, conductivity measurements, and TG-DTA techniques. The crystal and molecular structure of Nd(No3)3. (13-c-4) has been determined by single crystal X-ray diffraction

  已在AcOEt中制备了具有13冠4（13-C-4）的硝酸镧系元素络合物。这些具有通式Ln（NO 3）3。（13-c-4）（Ln = La–Nd，Sm–Lu）的配合物已经通过元素分析，IR和1 H-NMR光谱，电导率进行了表征。测量和TG-DTA技术。Nd（No 3）3的晶体和分子结构。（13-c-4）已经通过单晶X射线衍射确定。它在Z = 8的单斜空间群P 2 1 / a中结晶。晶格参数为a = 15.393（1），b = 12.578（1），c = 19.279（2）Å，β= 113.05（1）°， V = 3435埃3，d c ^ =2.01克厘米-3，μ=31.0厘米-1（莫2），F（000）= 2056的结构通过解决帕特森和傅立叶技术和精制通过最小二乘到最终常规ř 0.032值5218层独立的反射与我⩽3σ （一）。一个不对称单元中有两个独立的Nd（No 3）3 ·（13-C-4）
• OPTICALLY ACTIVE QUATERNARY AMMONIUM SALT HAVING AXIAL ASYMMETRY AND PROCESS FOR PRODUCING alpha-AMINO ACID AND DERIVATIVE THEREOF WITH THE SAME
  申请人：Maruoka Keiji

  公开号：US20070135654A1

  公开（公告）日：2007-06-14

  The present invention provides a compound of the following formula (I) below. This compound (I) can be produced by reacting a 2,2′-dimethylene bromide-1,1′-binaphthyl derivative, which can be produced by a relatively small number of processes, with an easily available secondary amine. This compound (I) is useful as a chiral phase-transfer catalyst.
• Optically active quaternary ammonium salt having axial asymmetry and process for producing alpha-amino acid and derivative thereof with the same
  申请人：Maruoka Keiji

  公开号：US20070161624A1

  公开（公告）日：2007-07-12

  The present invention provides a compound of the following formula (I) below. This compound (I) can be produced by reacting a 2,2′-dimethylene bromide-1,1′-binaphthyl derivative, which can be produced by a relatively small number of processes, with an easily available secondary amine. This compound (I) is useful as a chiral phase-transfer catalyst.