3-(4-methoxyphenyl)methyl-2-buten-1,4-olide | 30088-33-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-(4-methoxyphenyl)methyl-2-buten-1,4-olide
• 英文别名: 4-(4-methoxy-benzyl)-5H-furan-2-one；4-(4-Methoxy-benzyl)-5H-furan-2-on；4-Hydroxy-3-(4-methoxybenzyl)-crotonsaeurelacton；3-[(4-methoxyphenyl)methyl]-2H-furan-5-one
• CAS: 30088-33-6
• 化学式: C₁₂H₁₂O₃
• 分子量: 204.225
• InChiKey: CXZSYXBXLAIKRQ-UHFFFAOYSA-N

物化性质

• 沸点：
  394.3±30.0 °C(Predicted)
• 密度：
  1.202±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(4-methoxyphenyl)methyl-2-buten-1,4-olide 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 以85.6%的产率得到β-(4'-methoxybenzyl)-γ-butyrolactone
  参考文献：
  名称：

  New chemo and chemo-enzymatic synthesis of β-benzyl-γ-butyrolactones

  摘要：

  beta-Benzyl-gamma-butyrolactones, important intermediates for the synthesis of butyrolactone lignans, have been synthesized by a new route involving preparation of alpha-beta-unsaturated formyl esters. The formyl esters can easily be converted into the desired butyrolactones either through chemical transformations or by enzymatic methods. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(03)00476-9
• 作为产物：
  描述：

  3-(4-甲氧基苯甲酰基)丙酸 在 palladium on activated charcoal sodium tetrahydroborate 、 氢气 、 三氯氧磷 作用下， 以 甲醇 、 乙醚 、 乙醇 为溶剂， 40.0 ℃ 、344.74 kPa 条件下， 生成 3-(4-methoxyphenyl)methyl-2-buten-1,4-olide
  参考文献：
  名称：

  New chemo and chemo-enzymatic synthesis of β-benzyl-γ-butyrolactones

  摘要：

  beta-Benzyl-gamma-butyrolactones, important intermediates for the synthesis of butyrolactone lignans, have been synthesized by a new route involving preparation of alpha-beta-unsaturated formyl esters. The formyl esters can easily be converted into the desired butyrolactones either through chemical transformations or by enzymatic methods. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(03)00476-9

文献信息

• Efficient Route to 4-Substituted-2(5<i>H</i>)-furanones, 2(1<i>H</i>)-quinolones, and pyrones by Nickel-catalyzed Cross-coupling of Arenesulfonates with Organozinc Reagents
  作者：Jie Wu、Xiaoyu Sun、Liang Zhang

  DOI：10.1246/cl.2005.796

  日期：2005.6

  Nickel(II)-catalyzed cross-coupling reactions of 4-tosyl-2(1H)-quinolone, pyrone, and 2(5H)-furanone with various organozinc reagents provide an efficient and practical method for the high-yielding...

  镍 (II) 催化的 4-甲苯磺酰基-2(1H)-喹诺酮、吡喃酮和 2(5H)-呋喃酮与各种有机锌试剂的交叉偶联反应为高产...
• Conine; Jones, Journal of the American Pharmaceutical Association (1912), 1954, vol. 43, p. 670,672
  作者：Conine、Jones

  DOI：——

  日期：——