1-methyl imidazolium salicylate | 94442-16-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methyl imidazolium salicylate
• 英文别名: 1-Methyl imidazolium salicylate；2-carboxyphenolate;3-methyl-1H-imidazol-3-ium
• CAS: 94442-16-7
• 化学式: C₄H₇N₂*C₇H₅O₃
• 分子量: 220.228
• InChiKey: KGKNMMOAEUJQTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.51
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  75.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-methyl imidazolium salicylate 、 molybdenum hexacarbonyl 以 neat (no solvent) 为溶剂， 生成 {1-methylimidazolium}2{cis-MoO2(salicylato-O(1),O(2))2}
  参考文献：
  名称：

  Ionic liquid mediated preparation and X-ray crystal structure of [1-methylimidazolium]2[cis-MoO2(salicylato-O1,O2)2]

  摘要：

  The complex salt, [1-MeimH]2[CiS-MoO2(sal)2], 1, (1-Meim = 1-methylimidazole, sal = o-C6H4(O-)(COO-)) has been prepared by reacting MO(CO)6 with molten 1-methyl imidazolium salicylate [1-MeimH][salH], and the structure of 1 has been determined by single crystal X-ray crystallography: triclinic, P1BAR, a = 9.220(2), b = 9.469(3), c = 15.368(4) angstrom, alpha = 105.04(4), beta = 99.48(3), gamma = 109.48(3)-degrees, Z = 2, D(calc) = 1.60 g/cm. 2809 reflections with I > 2.5sigma(I) gave a final values of R = 0.031 and R(w) = 0.041.

  DOI：

  10.1007/bf01247239
• 作为产物：
  描述：

  N-甲基咪唑 、 水杨酸 以 四氢呋喃 为溶剂， 反应 18.0h， 以99.87%的产率得到1-methyl imidazolium salicylate
  参考文献：
  名称：

  Ionic liquid mediated preparation and X-ray crystal structure of [1-methylimidazolium]2[cis-MoO2(salicylato-O1,O2)2]

  摘要：

  The complex salt, [1-MeimH]2[CiS-MoO2(sal)2], 1, (1-Meim = 1-methylimidazole, sal = o-C6H4(O-)(COO-)) has been prepared by reacting MO(CO)6 with molten 1-methyl imidazolium salicylate [1-MeimH][salH], and the structure of 1 has been determined by single crystal X-ray crystallography: triclinic, P1BAR, a = 9.220(2), b = 9.469(3), c = 15.368(4) angstrom, alpha = 105.04(4), beta = 99.48(3), gamma = 109.48(3)-degrees, Z = 2, D(calc) = 1.60 g/cm. 2809 reflections with I > 2.5sigma(I) gave a final values of R = 0.031 and R(w) = 0.041.

  DOI：

  10.1007/bf01247239

文献信息

• Ionic liquid mediated preparation and X-ray crystal structure of [1-methylimidazolium]2[cis-MoO2(salicylato-O1,O2)2]
  作者：Kelly Boutilier、Leonard R. MacGillivray、S. Subramanian、Michael J. Zaworotko

  DOI：10.1007/bf01247239

  日期：1993.10

  The complex salt, [1-MeimH]2[CiS-MoO2(sal)2], 1, (1-Meim = 1-methylimidazole, sal = o-C6H4(O-)(COO-)) has been prepared by reacting MO(CO)6 with molten 1-methyl imidazolium salicylate [1-MeimH][salH], and the structure of 1 has been determined by single crystal X-ray crystallography: triclinic, P1BAR, a = 9.220(2), b = 9.469(3), c = 15.368(4) angstrom, alpha = 105.04(4), beta = 99.48(3), gamma = 109.48(3)-degrees, Z = 2, D(calc) = 1.60 g/cm. 2809 reflections with I > 2.5sigma(I) gave a final values of R = 0.031 and R(w) = 0.041.