Methyl 2-formyl-3-methoxy-5-methylbenzoate | 1174219-68-1

• 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 2-formyl-3-methoxy-5-methylbenzoate
• 英文别名: methyl 2-formyl-3-methoxy-5-methylbenzoate
• CAS: 1174219-68-1
• 化学式: C₁₁H₁₂O₄
• 分子量: 208.214
• InChiKey: MDPLRZHFLZRNQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 2-formyl-3-methoxy-5-methylbenzoate 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以90%的产率得到C₁₀H₁₀O₄
  参考文献：
  名称：

  A synthetic route to 1,3-dihydroisobenzofuran natural products: the synthesis of methyl ethers of pestacin

  摘要：

  A synthetic route to 1-(2,6-dihydroxyphenyl)phthalan natural products is described. It is typified by the synthesis of permethyl and monomethyl ethers (21 and 22) of pestacin (1), a 1,3-dihydroisobenzofuran natural product. The key step is hydrodeoxygenation of the corresponding isobenzofuranone 19 in 2 steps: reduction and intramolecular etherification. A route involving hydrodesulfurization of a thionophthalide to a phthalan (e.g., 8) is also reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.079
• 作为产物：
  描述：

  1,1-二氯甲醚 、 3-甲氧基-5-甲基苯甲酸甲酯 在 四氯化钛 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以50%的产率得到Methyl 2-formyl-3-methoxy-5-methylbenzoate
  参考文献：
  名称：

  A synthetic route to 1,3-dihydroisobenzofuran natural products: the synthesis of methyl ethers of pestacin

  摘要：

  A synthetic route to 1-(2,6-dihydroxyphenyl)phthalan natural products is described. It is typified by the synthesis of permethyl and monomethyl ethers (21 and 22) of pestacin (1), a 1,3-dihydroisobenzofuran natural product. The key step is hydrodeoxygenation of the corresponding isobenzofuranone 19 in 2 steps: reduction and intramolecular etherification. A route involving hydrodesulfurization of a thionophthalide to a phthalan (e.g., 8) is also reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.04.079

文献信息

• A synthetic route to 1,3-dihydroisobenzofuran natural products: the synthesis of methyl ethers of pestacin
  作者：Raju Karmakar、Pallab Pahari、Dipakranjan Mal

  DOI：10.1016/j.tetlet.2009.04.079

  日期：2009.7

  A synthetic route to 1-(2,6-dihydroxyphenyl)phthalan natural products is described. It is typified by the synthesis of permethyl and monomethyl ethers (21 and 22) of pestacin (1), a 1,3-dihydroisobenzofuran natural product. The key step is hydrodeoxygenation of the corresponding isobenzofuranone 19 in 2 steps: reduction and intramolecular etherification. A route involving hydrodesulfurization of a thionophthalide to a phthalan (e.g., 8) is also reported. (C) 2009 Elsevier Ltd. All rights reserved.