formic acid-[¹³C]methyl ester | 113133-71-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: formic acid-[¹³C]methyl ester
• 英文别名: Ameisensaeure-[¹³C]methylester；(113C)methyl formate
• CAS: 113133-71-4
• 化学式: C₂H₄O₂
• 分子量: 61.0416
• InChiKey: TZIHFWKZFHZASV-OUBTZVSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.21
• 重原子数：
  4.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  碳十三甲醇 、 二氧化碳 以 甲醇 为溶剂， 20.0 ℃ 、4.05 MPa 条件下， 生成 formic acid-[¹³C]methyl ester
  参考文献：
  名称：

  Electrochemical Reduction of CO2 with High Current Density in a CO2-Methanol Medium

  摘要：

  Electrochemical reduction of CO2 with high current density was studied in a CO2-methanol medium. The mole fraction of CO2 in this medium varied from 0.7% to 94% with changing the pressure of the system from 1 to 60 atm. Carbon dioxide was reduced to CO, CH4, C2H4, and methyl formate at a Cu electrode. A methyl group and a formyl group of methyl formate are derived from methanol and CO2, respectively. Methyl formate production in this system corresponds to formic acid formation in aqueous systems. A Tafel plot obtained at 40 atm (the mole fraction of CO2 is 33%) indicated that the reduction of CO2 to CO was no longer limited by mass transfer of CO2. Total current density and current efficiency of CO2 reduction at -2.3 V were 436 mA cm(-2) and 87%, respectively, at 40 atm. The studied pressure range, 0-60 atm, was classified into three regions with boundaries at 20 and 40 atm; 20 atm was the point above which the mass transfer of CO2 is sufficiently high for the reaction under the current density of 200 mA cm(-2), and 40 atm was the point at which the significant change occurs in the property of CO2-methanol medium. Reduction of CO2 to CO and methyl formate proceeded even at 60 atm, at which the mole fraction of CO2 is 94%.

  DOI：

  10.1021/j100020a083

文献信息

• KLIER, K.;HERMAN, R. G.;NUNAN, J. G.;SMITH, K. J.;BOGDAN, C. E.;YOUNG, C.+, METHANE CONVERS., AMSTERDAM, ETC.,(1988) C. 109-125
  作者：KLIER, K.、HERMAN, R. G.、NUNAN, J. G.、SMITH, K. J.、BOGDAN, C. E.、YOUNG, C.+

  DOI：——

  日期：——