1-decyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium;bromide | 108141-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吖庚因类
• 英文名称: 1-decyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium;bromide
• CAS: 108141-05-5
• 化学式: Br*C₁₉H₃₇N₂
• 分子量: 373.42
• InChiKey: MHKAFPCFUKSYCP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.82
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  6.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-decyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium;bromide 、 sodium thiocyanide 以 二氯甲烷 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Synthesis, Characterization, and Thermophysical Properties of 1,8-Diazobicyclo[5.4.0]undec-7-ene Based Thiocyanate Ionic Liquids

  摘要：

  In this work, synthesis of 12 ionic liquids based on 1,8-diazobicyclo[5.4.0] undec-7-ene (DBU) cation with anions such as chloride, bromide, and thiocyanate were performed. The new ionic liquids were characterized using nuclear magnetic resonance spectroscopy and elemental analysis. The effect of alkyl spacer length on the physicochemical properties of DBU based ionic liquids was studied by attaching ethyl, butyl, hexyl, octyl, decyl, and tetradecyl groups to the DBU cation. The effects of temperature on the density and viscosity over a temperature range from 293.15 K to 373.15 K were recorded at atmospheric pressure. From the experimental density values, the thermal expansion coefficient values were calculated. The surface tension of the neat ionic liquids was measured at seven different temperatures (293.15 K, 303.15 K, 313.15 K, 323.15 K, 333.15 K, 343.15 K, and 353.15 K). The surface entropy and surface enthalpy were calculated from the experimental surface tension value at 303.15 K. The thermal behavior of these ionic liquids was studied using thermogravimetric analysis and differential scanning calorimetry.

  DOI：

  10.1021/je400991s
• 作为产物：
  描述：

  1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 癸基溴 以 乙腈 为溶剂， 反应 48.0h， 生成 1-decyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium;bromide
  参考文献：
  名称：

  Synthesis, Characterization, and Thermophysical Properties of 1,8-Diazobicyclo[5.4.0]undec-7-ene Based Thiocyanate Ionic Liquids

  摘要：

  In this work, synthesis of 12 ionic liquids based on 1,8-diazobicyclo[5.4.0] undec-7-ene (DBU) cation with anions such as chloride, bromide, and thiocyanate were performed. The new ionic liquids were characterized using nuclear magnetic resonance spectroscopy and elemental analysis. The effect of alkyl spacer length on the physicochemical properties of DBU based ionic liquids was studied by attaching ethyl, butyl, hexyl, octyl, decyl, and tetradecyl groups to the DBU cation. The effects of temperature on the density and viscosity over a temperature range from 293.15 K to 373.15 K were recorded at atmospheric pressure. From the experimental density values, the thermal expansion coefficient values were calculated. The surface tension of the neat ionic liquids was measured at seven different temperatures (293.15 K, 303.15 K, 313.15 K, 323.15 K, 333.15 K, 343.15 K, and 353.15 K). The surface entropy and surface enthalpy were calculated from the experimental surface tension value at 303.15 K. The thermal behavior of these ionic liquids was studied using thermogravimetric analysis and differential scanning calorimetry.

  DOI：

  10.1021/je400991s

文献信息

• HORI YUJI; NAGANO YOSHIAKI; TANAKA KEIJI; TANIGUCHI HIROSHI, CHEM. EPRESS, 1,(1986) N 8, 491-494
  作者：HORI YUJI、 NAGANO YOSHIAKI、 TANAKA KEIJI、 TANIGUCHI HIROSHI

  DOI：——

  日期：——