| 161772-89-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• CAS: 161772-89-0
• 化学式: C₁₄H₁₄O₃
• 分子量: 230.263
• InChiKey: IQBQXIUNWQACBM-MFDVASPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.48
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 氢氧化钾 、 水 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  A novel approach to the synthesis of benzoic and cinnamic acid derivatives with nor-isoprenoid substituents

  摘要：

  A novel strategy for the synthesis of 4-(nor-polyprenyl)-substituted benzoic acids and their esters of the general formula 1 as well as their vinylogs of the type 2, based on the use of terephthalic aldehyde (3) and its tetramethyl acetal (13), is elaborated. The carbonyl groups in dialdehydes 3 and 12 can be selectively involved in the reaction sequences leading to the introduction of both aliphatic and functional substituents in positions 1 and 4 of the benzene ring.

  DOI：

  10.1007/bf00698948
• 作为产物：
  描述：

  (1-methoxy-1-oxopropan-2-yl)triphenylphosphonium iodide 在 lithium aluminium tetrahydride 、 高氯酸 、 cation exchanger (H+)-form 、 水 、 potassium carbonate 、 pyridinium chlorochromate 作用下， 以 1,4-二氧六环 、 乙醚 、 二氯甲烷 、 苯 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  A novel approach to the synthesis of benzoic and cinnamic acid derivatives with nor-isoprenoid substituents

  摘要：

  A novel strategy for the synthesis of 4-(nor-polyprenyl)-substituted benzoic acids and their esters of the general formula 1 as well as their vinylogs of the type 2, based on the use of terephthalic aldehyde (3) and its tetramethyl acetal (13), is elaborated. The carbonyl groups in dialdehydes 3 and 12 can be selectively involved in the reaction sequences leading to the introduction of both aliphatic and functional substituents in positions 1 and 4 of the benzene ring.

  DOI：

  10.1007/bf00698948