5-methoxy-2,2-dimethyl-1-2H-benzopyran-6-propanoic acid methyl ester | 57601-66-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-methoxy-2,2-dimethyl-1-2H-benzopyran-6-propanoic acid methyl ester
• 英文别名: 5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid methyl ester；methyl 5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoate；Methyl 3-(5-methoxy-2,2-dimethylchromen-6-yl)propanoate
• CAS: 57601-66-8
• 化学式: C₁₆H₂₀O₄
• 分子量: 276.332
• InChiKey: XRJVRHOPKCXHKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-methoxy-2,2-dimethyl-1-2H-benzopyran-6-propanoic acid methyl ester 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 生成 3-(5-Methoxy-2,2-dimethyl-chroman-6-yl)-propionic acid methyl ester
  参考文献：
  名称：

  Jacobs, Helen; Ramdayal, Frank; Reynolds, William F., Canadian Journal of Chemistry, 1986, vol. 64, p. 580 - 583

  摘要：

  DOI：
• 作为产物：
  描述：

  丙二酸二甲酯 、 5-methoxy-2,2-dimethyl-2H-1-benzopyran-6-methylenetrimethylammonium iodide 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 39.0h， 以75%的产率得到5-methoxy-2,2-dimethyl-1-2H-benzopyran-6-propanoic acid methyl ester
  参考文献：
  名称：

  A short synthesis of 5-methoxy-2,2-dimethyl-2 H -1-benzopyran-6-propanoic acid methyl ester

  摘要：

  5-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid methyl ester was prepared in five steps and approximately 20% overall yield from 2,4-dihydroxybenzaldehyde. The two key reactions are the chromenylation between the unchelated hydroxyl group and C-3 of the resbenzaldehyde and the demethoxycarbonylation-alkylation of dimethyl malonate with a quaternary ammonium iodide. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00456-2

文献信息

• A short synthesis of 5-methoxy-2,2-dimethyl-2 H -1-benzopyran-6-propanoic acid methyl ester
  作者：Geneive E Henry、Helen Jacobs

  DOI：10.1016/s0040-4020(01)00456-2

  日期：2001.6

  5-Methoxy-2,2-dimethyl-2H-1-benzopyran-6-propanoic acid methyl ester was prepared in five steps and approximately 20% overall yield from 2,4-dihydroxybenzaldehyde. The two key reactions are the chromenylation between the unchelated hydroxyl group and C-3 of the resbenzaldehyde and the demethoxycarbonylation-alkylation of dimethyl malonate with a quaternary ammonium iodide. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Jacobs, Helen; Ramdayal, Frank; Reynolds, William F., Canadian Journal of Chemistry, <hi>1986</hi>, vol. 64, p. 580 - 583
  作者：Jacobs, Helen、Ramdayal, Frank、Reynolds, William F.、Poplawsky, Janusz、McLean, Stewart

  DOI：——

  日期：——