butyl N-(2-furfuryl)carbamate | 123391-59-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: butyl N-(2-furfuryl)carbamate
• 英文别名: butyl N-(furan-2-ylmethyl)carbamate
• CAS: 123391-59-3
• 化学式: C₁₀H₁₅NO₃
• 分子量: 197.234
• InChiKey: HBUMEABAHBMPFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  51.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  正溴丁烷 、 以 乙腈 为溶剂， 反应 6.0h， 生成 butyl N-(2-furfuryl)carbamate
  参考文献：
  名称：

  Study of the carbon dioxide chemical fixation—activation by guanidines

  摘要：

  Fixation of CO2 is one of the most important priorities of the scientific community dedicated to reduce global warming. In this work, we propose new methods for the fixation of CO2 using the guanidine bases tetramethylguanidine (TMG) and 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]-pyrimidine (TBD). In order to understand the reactions occurring during the CO2 fixation and release processes, we employed several experimental methods, including solution and solid-state NMR, FTIR, and coupled TGA-FTIR. Quantum mechanical NMR calculations were also carried out. Based on the results obtained, we concluded that CO2 fixation with both TMG and TBD guanidines is a kinetically reversible process, and the corresponding fixation products have proved to be useful as transcarboxylating compounds. Afterward, CO2 thermal releasing from this fixation product with TBD was found to be an interesting process for CO2 capture and isolation purposes. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.08.008