octyl 3-furancarboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: octyl 3-furancarboxylate
• 英文别名: octyl furan-3-carboxylate
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: ACUFNYXXYYVBEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  16.0
• 可旋转键数：
  8.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  39.44
• 氢给体数：
  0.0
• 氢受体数：
  3.0

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  乙基3-氟	ethyl 3-furancarboxylate	614-98-2	C7H8O3	140.139

反应信息

• 作为产物：
  描述：

  乙基3-氟 、 辛醇 在 Mucor miehei lipase 4 A molecular sieve 作用下， 以 异丙醚 为溶剂， 反应 240.0h， 以57%的产率得到octyl 3-furancarboxylate
  参考文献：
  名称：

  Mucor miehei lipase catalyzed transesterifications on aromatic and heteroaromatic substrates. A general survey

  摘要：

  An investigation on Mucor miehei lipase-catalyzed transesterifications of 16 aromatic and heteroaromatic esters in organic solvents is described. The points studied were the activity and regioselectivity of the enzyme-catalyzed reaction of either one or two ester groups situated in different positions on several heterocyclic systems with an aliphatic alcohol. The reactions took place in moderate to good yields and, in some cases, regioselectively.

  DOI：

  10.1016/s0040-4020(01)81352-1

文献信息

• Mucor miehei lipase catalyzed transesterifications on aromatic and heteroaromatic substrates. A general survey
  作者：María Gema Martín-Muñoz、Marta Fierros、María Isabel Rodriguez-Franco、Santiago Conde

  DOI：10.1016/s0040-4020(01)81352-1

  日期：——

  An investigation on Mucor miehei lipase-catalyzed transesterifications of 16 aromatic and heteroaromatic esters in organic solvents is described. The points studied were the activity and regioselectivity of the enzyme-catalyzed reaction of either one or two ester groups situated in different positions on several heterocyclic systems with an aliphatic alcohol. The reactions took place in moderate to good yields and, in some cases, regioselectively.