2-乙基己酸铵 | 15590-60-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-乙基己酸铵
• 英文名称: Hexanoic acid, 2-ethyl-, ammonium salt
• 英文别名: azanium;2-ethylhexanoate
• CAS: 15590-60-0
• 化学式: C8H19NO2
• 分子量: 161.24
• InChiKey: JQQFHYGWOCWHFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.45
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  38.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  铋 、 2-乙基-己酸稀土盐 、 2-乙基己酸铵 、 在 甲醇 作用下， 以 甲醇 为溶剂， 反应 23.0h， 生成 1,1',1''-Bismuthinetriyltris(oxy)tris(2-ethylhexan-1-one)
  参考文献：
  名称：

  Synthesis of metal 2-ethylhexanoates

  摘要：

  一种合成金属2-乙基己酸酯的过程，包括将金属与反应混合物反应，该反应混合物包括羧酸、低分子量脂肪醇和电导添加剂，在电解槽中在电流的作用下进行反应。在电解槽中，离子交换膜分隔了阴极和阳极的各自区域。金属以阳极的形式引入，最好是铅或铋。羧酸酯最好是2-乙基己酸。电导添加剂最好是2-乙基己酸盐和碱金属或铵阳离子的盐。

  公开号：

  US06033551A1

文献信息

• Ionic liquids
  申请人：Flanagan Scott

  公开号：US20070129568A1

  公开（公告）日：2007-06-07

  Low melting point organic liquid compounds with high boiling points are prepared by a preferred process having the J +x Q y (R—COO − ) x-y where x is 1 to 8, preferably 1-3, y is 0 to x−1, where R—COO − is an anion selected from the group consisting of 2-ethyl hexanoate, pivalate, neodecanoate, and mixtures thereof, Q is another anion or mixture of other anions, and J +x is a cation selected from cations of Groups IA, IIA, IB, IIB, IIIB, IVB, VB, VIB, VIIB, VIII and lanthanide metals, cations selected from cations of B, Si, Ge, As, Sb, Te and Po metalloids, an ammonium cation derived from ammonia or an organic amine, an organic phosphonium cation, and mixtures thereof the organic liquid compounds being substantially free of volatile organic compounds. These compounds, as liquids, are useful as low volatile organic solvents, e.g., solvents in which a variety of chemical reactions may be carried out.

  本发明提供了一种首选工艺，其中J+xQy（R-COO-）x-y，其中x为1至8，优选为1-3，y为0至x-1，其中R-COO-是从2-乙基己酸盐，季戊四酸盐，新戊酸盐和其混合物中选择的阴离子，Q是另一个阴离子或其他阴离子的混合物，J+x是从IA，IIA，IB，IIB，IIIB，IVB，VB，VIB，VIIB，VIII和镧系金属的阳离子，从B，Si，Ge，As，Sb，Te和Po金属的阳离子，从氨或有机胺衍生的铵阳离子，有机磷铵阳离子和其混合物中选择的阳离子，所述有机液体化合物基本上不含挥发性有机化合物。这些化合物作为液体，可用作低挥发性有机溶剂，例如，可在其中进行各种化学反应。
• Catalyst composition for production of rigid polyurethane foam and isocyanurate-modified rigid polysurethane foam and raw-material composition containing the same
  申请人：Tokumoto Katsuml

  公开号：US20070112085A1

  公开（公告）日：2007-05-17

  An object of the present invention is to provide a catalyst for producing a rigid polyurethane foam and an isocyanurate-modified rigid polyurethane foam excellent in storage stability in the case that water is contained as a blowing agent, and a raw material-blended composition using the same. In the present invention, a catalyst composition comprising the following amine compounds of (A) and (B) and/or (C) is used and further, a raw material-blended composition further containing a polyol component and water is used. (A) A quaternary ammonium salt represented by the following general formula (1): wherein each of R 1 to R 3 represents a hydrocarbon group having 1 to 12 carbon atoms, R 4 represents an alkyl group or an aromatic hydrocarbon group having 1 to 18 carbon atoms, and X represents an organic acid group having an acid dissociation constant (pKa) of 4.8 or less; (B) A hydrophobic amine compound; (C) A heterocyclic tertiary amine compound.

  本发明的目的是提供一种催化剂，用于生产含水为发泡剂的刚性聚氨酯泡沫和异氰酸酯改性的刚性聚氨酯泡沫，并具有良好的储存稳定性，以及使用相同的原料混合组合物。在本发明中，使用以下胺化合物（A）和（B）和/或（C）组成的催化剂组合物，并且还使用进一步包含聚醇组分和水的原料混合组合物。(A) 由以下通式（1）表示的季铵盐：其中，R1至R3分别表示具有1至12个碳原子的碳氢基团，R4表示具有1至18个碳原子的烷基基团或芳香族碳氢基团，X表示具有酸解离常数（pKa）小于4.8的有机酸基团；(B) 疏水胺化合物；(C) 杂环三级胺化合物。
• CATALYST COMPOSITION FOR PRODUCTION OF RIGID POLYURETHANE FOAM AND ISOCYANURATE-MODIFIED RIGID POLYURETHANE FOAM AND RAW-MATERIAL COMPOSITION CONTAINING THE SAME
  申请人：TOKUMOTO Katsumi

  公开号：US20120035289A1

  公开（公告）日：2012-02-09

  An object of the present invention is to provide a catalyst for producing a rigid polyurethane foam and an isocyanurate-modified rigid polyurethane foam excellent in storage stability in the case that water is contained as a blowing agent, and a raw material-blended composition using the same. In the present invention, a catalyst composition comprising the following amine compounds of (A) and (B) and/or (C) is used and further, a raw material-blended composition further containing a polyol component and water is used. (A) A quaternary ammonium salt represented by the following general formula (1): wherein each of R 1 to R 3 represents a hydrocarbon group having 1 to 12 carbon atoms, R 4 represents an alkyl group or an aromatic hydrocarbon group having 1 to 18 carbon atoms, and X represents an organic acid group having an acid dissociation constant (pKa) of 4.8 or less; (B) A hydrophobic amine compound; (C) A heterocyclic tertiary amine compound.

  本发明的目的是提供一种催化剂，用于生产在水作为发泡剂时具有良好储存稳定性的硬质聚氨酯泡沫和异氰酸酯改性的硬质聚氨酯泡沫，以及使用该催化剂的原料混合组合物。在本发明中，使用以下胺化合物（A）和（B）和/或（C）组成的催化剂组合物，并进一步使用含有聚醚组分和水的原料混合组合物。(A) 由下式（1）表示的季铵盐：其中R1至R3分别表示具有1至12个碳原子的碳氢基团，R4表示具有1至18个碳原子的烷基基团或芳香族碳氢基团，X表示具有酸解离常数（pKa）小于4.8的有机酸基团；(B) 疏水胺化合物；(C) 杂环三级胺化合物。
• Process for the preparation of clavulanic acid
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP0672670A1

  公开（公告）日：1995-09-20

  A process for the preparation and/or purification of clavulanic acid or a pharmaceutically acceptable salt or ester thereof comprises i) contacting impure clavulanic acid or an alkali metal salt thereof in an organic solvent, with an amine of formula (II) where R¹ is a group of general formula where R⁴ and R⁵ are independently hydrogen, alkyl, amino-substituted alkyl or substituted amino-substituted alkyl, and R² and R³ are independently selected from hydrogen, alkyl, amino- or hydroxy-substituted alkyl or substituted amino-substituted alkyl, and m is zero or an integer 1 to 5; ii) isolating the amine salt of clavulanic acid formed; iii) converting the thus formed salt into clavulanic acid or a pharmaceutically acceptable salt or ester thereof.

  制备和/或纯化克拉维酸或其药学上可接受的盐或酯的工艺包括 i) 将有机溶剂中的不纯克拉维酸或其碱金属盐与式 (II) 的胺接触 其中 R¹ 为通式基团 其中 R⁴ 和 R⁵ 独立地为氢、烷基、氨基取代的烷基或取代的氨基取代的烷基，且 R² 和 R³ 独立地选自氢、烷基、氨基或羟基取代的烷基或取代的氨基取代的烷基，且 m 为零或 1 至 5 的整数； ii) 分离所形成的克拉维酸胺盐； iii) 将由此形成的盐转化为克拉维酸或其药学上可接受的盐或酯。
• Polyamine salts of clavulanic acid
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP0747383A2

  公开（公告）日：1996-12-11

  A process for the preparation of clavulanic acid or its pharmaceutically acceptable salts and esters in which an amine of formula (II): is used as an intermediate to form a salt with clavulanic acid, R1, R2 and R3 being selected from various substituent atoms and groups.

  一种制备克拉维酸或其药学上可接受的盐和酯的工艺，其中式 (II)： 作为中间体与克拉维酸形成盐，R1、R2 和 R3 选自各种取代原子和基团。