methyl 4-(3,4-dimethoxyphenyl)-3-hydroxymethylbutanoate | 590418-56-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 4-(3,4-dimethoxyphenyl)-3-hydroxymethylbutanoate
• 英文别名: Methyl 3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxybutanoate；methyl 3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxybutanoate
• CAS: 590418-56-7
• 化学式: C₁₄H₂₀O₅
• 分子量: 268.31
• InChiKey: AAYLIDRJQGJSQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 4-(3,4-dimethoxyphenyl)-3-hydroxymethylbutanoate 在 盐酸 作用下， 以 水 为溶剂， 反应 0.33h， 以70.5%的产率得到4-[(3,4-二甲氧基苯基)甲基]二氢呋喃-2-酮
  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：

  4-(3,4-二甲氧基苯基)-4-氧代丁酸甲酯 在 palladium on activated charcoal sodium tetrahydroborate 、 氢气 、 三氯氧磷 作用下， 以 甲醇 、 乙醇 为溶剂， 40.0 ℃ 、344.74 kPa 条件下， 生成 methyl 4-(3,4-dimethoxyphenyl)-3-hydroxymethylbutanoate
  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

• New chemo and chemo-enzymatic synthesis of β-benzyl-γ-butyrolactones
  作者：S Koul、B Singh、S.C Taneja、G.N Qazi

  DOI：10.1016/s0040-4020(03)00476-9

  日期：2003.5

  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.