1-乙基-3-甲基-1H-咪唑-3-鎓(2S)-2-羟基丙酸酯 | 878132-19-5

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-乙基-3-甲基-1H-咪唑-3-鎓(2S)-2-羟基丙酸酯
• 中文别名: 氯化3-(联苯基-4-基)-3-羟基-N-甲基-N-(2-苯基乙基)丙烷-1-铵；EMIM乳酸盐
• 英文名称: 1-ethyl-3-methylimidazolium L-lactate
• 英文别名: 1-ethyl-3-methylimidazolium lactate；1-Ethyl-3-methylimidazolium L-(+)-lactate；1-ethyl-3-methylimidazol-3-ium;(2S)-2-hydroxypropanoate
• CAS: 878132-19-5
• 化学式: C₃H₅O₃*C₆H₁₁N₂
• 分子量: 200.238
• InChiKey: RJCLZEKYUQKDAL-WNQIDUERSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.55
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  69.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• 危险标志：
  GHS07
• 危险性描述：
  H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338

反应信息

• 作为反应物：
  描述：

  indium nitrate hydrate 、 1-乙基-3-甲基-1H-咪唑-3-鎓(2S)-2-羟基丙酸酯 在 5-sulfoisophthalic acid monosodium salt 作用下， 以51%的产率得到poly[tetra-μ2-L-lactato-indium(III)sodium(I)]
  参考文献：
  名称：

  Poly[tetra-μ₂-L-lactato-indium(III)sodium(I)]

  摘要：

  The asymmetric unit of the title compound, [InNa(C3H5O3)(4)] (n) , consists of one InIII ion, one NaI ion and four crystallographically independent l-lactate monoanions. The coordination of the InIII ion is composed of five carboxylate O and two hydroxy O atoms in a distorted pentagonal-bipyramidal coordination geometry. The NaI ion is six-coordinated by four carboxylate O atoms and two hydroxy O atoms from four l-lactate ligands in a distorted octahedral geometry. Each InIII ion is coordinated by four surrounding l-lactate ligands to form an [In(l-lactate)(4)]- unit, which is further linked by NaI ions through Na-O bonds to give a two-dimensional layered structure. Hydrogen bonds between the hydroxy groups and carboxylate O atoms are observed between neighbouring layers.

  DOI：

  10.1107/s0108270111013606
• 作为产物：
  描述：

  L-乳酸 、 1-乙基-3-甲基溴化咪唑 在 Amberlyst A₂₆ 作用下， 以 甲醇 、 水 为溶剂， 生成 1-乙基-3-甲基-1H-咪唑-3-鎓(2S)-2-羟基丙酸酯
  参考文献：
  名称：

  离子液体吸水：来自 [BMIm][OAc] 案例研究的扩散控制吸附过程的证据

  摘要：

  离子液体的亲水性可用作干燥剂或用于吸附驱动的热转换，但关于纯离子液体的水吸附等温线的报道仍然很少。在这里，六种纯亲水离子液体与 1-乙基-3-甲基咪唑鎓 [EMIm] +或 1-丁基-3-甲基咪唑鎓 [BMIm] +阳离子和乙酸盐 [OAc] –、甲酸盐 [HCOO] –或乳酸[LAC] -阴离子显示出稳定和高的水吸收超过p / p的相对压力范围内的吸收和解吸之间的小的滞后0  =  0  - 第一次 0.9。用不同量或不同表面积的示例 IL [BMIm][OAc] 重复静态体积吸附测量揭示了缓慢且强烈扩散驱动的吸附过程，该过程源于表面吸附水吸收到本体 IL 中。将吸水量外推到非常小的 IL 量，而动力学障碍可忽略不计，在 p/p 0 = 0.9 时，平衡吸水能力超过 2100 mg/g(IL) 。在 75.5  %的相对湿度下进行的重量控制实验证实了与气-液界面处的 IL 表面积以及 在

  DOI：

  10.1016/j.molliq.2021.118023

文献信息

• Chiral Induction in the Ionothermal Synthesis of a 3D Chiral Heterometallic Metal–Organic Framework Constructed from Achiral 1,4-Naphthalenedicarboxylate
  作者：Qing-Yan Liu、Wei-Lu Xiong、Cai-Ming Liu、Yu-Ling Wang、Jia-Jia Wei、Zuo-Juan Xiahou、Li-Hua Xiong

  DOI：10.1021/ic400853r

  日期：2013.6.17

  A chiral heteometallic compound, [(EMIM)NaCu(1,4-ndc)(2)](n) (1), constructed from the achiral 1,4-naphthalenedicarboxylate (1,4-ndc) ligand has been ionothermally synthesized and structurally and magnetically characterized. The chiral induction effect of the enantiopure 1-ethyl-3-methylimidazolium (EMIM) L-lactate additive in the ionothermal reaction is briefly discussed.
• Water sorption by ionic liquids: Evidence of a diffusion-controlled sorption process derived from the case study of [BMIm][OAc]
  作者：Alex Spieß、Philipp Brandt、Alexa Schmitz、Christoph Janiak

  DOI：10.1016/j.molliq.2021.118023

  日期：2022.2

  The hydrophilicity of ILs could be exploited as desiccants or in sorption-driven heat transformation, yet reports of water sorption isotherms of pure ionic liquids are still scarce. Here, water sorption studies for the six pure hydrophilic ionic liquids with 1-ethyl-3-methylimidazolium [EMIm]+ or 1-butyl-3-methylimidazolium [BMIm]+ cations and acetate [OAc]–, formate [HCOO]– or lactate [Lac]– anions

  离子液体的亲水性可用作干燥剂或用于吸附驱动的热转换，但关于纯离子液体的水吸附等温线的报道仍然很少。在这里，六种纯亲水离子液体与 1-乙基-3-甲基咪唑鎓 [EMIm] +或 1-丁基-3-甲基咪唑鎓 [BMIm] +阳离子和乙酸盐 [OAc] –、甲酸盐 [HCOO] –或乳酸[LAC] -阴离子显示出稳定和高的水吸收超过p / p的相对压力范围内的吸收和解吸之间的小的滞后0  =  0  - 第一次 0.9。用不同量或不同表面积的示例 IL [BMIm][OAc] 重复静态体积吸附测量揭示了缓慢且强烈扩散驱动的吸附过程，该过程源于表面吸附水吸收到本体 IL 中。将吸水量外推到非常小的 IL 量，而动力学障碍可忽略不计，在 p/p 0 = 0.9 时，平衡吸水能力超过 2100 mg/g(IL) 。在 75.5  %的相对湿度下进行的重量控制实验证实了与气-液界面处的 IL 表面积以及 在
• Poly[tetra-μ₂-<scp>L</scp>-lactato-indium(III)sodium(I)]
  作者：Jia-Jia Wei、Na Zhang、Yu-Ling Wang、Qing-Yan Liu

  DOI：10.1107/s0108270111013606

  日期：2011.5.15

  The asymmetric unit of the title compound, [InNa(C3H5O3)(4)] (n) , consists of one InIII ion, one NaI ion and four crystallographically independent l-lactate monoanions. The coordination of the InIII ion is composed of five carboxylate O and two hydroxy O atoms in a distorted pentagonal-bipyramidal coordination geometry. The NaI ion is six-coordinated by four carboxylate O atoms and two hydroxy O atoms from four l-lactate ligands in a distorted octahedral geometry. Each InIII ion is coordinated by four surrounding l-lactate ligands to form an [In(l-lactate)(4)]- unit, which is further linked by NaI ions through Na-O bonds to give a two-dimensional layered structure. Hydrogen bonds between the hydroxy groups and carboxylate O atoms are observed between neighbouring layers.