3-acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzaldehyde | 916987-32-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzaldehyde
• 英文别名: 3-Acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzaldehyde
• CAS: 916987-32-1
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.213
• InChiKey: FQNLHCIUBPSVTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzaldehyde 在 4-二甲氨基吡啶 、 氢氧化钾 作用下， 以 吡啶 为溶剂， 反应 30.5h， 生成 (Z)-2,4-dihydroxy-3-(3-hydroxy-3-phenylacryloyl)-6-methoxy-5-methylbenzaldehyde
  参考文献：
  名称：

  Anti-AIDS agents 68. The first total synthesis of a unique potent anti-HIV chalcone from genus Desmos

  摘要：

  The first total synthesis of a unique highly functionalized and potent anti-HIV chalcone 1, isolated from genus Desmos, was achieved from commercially available 2,4,6-trihydroxytoluene (3) or 2,4,6-trihydroxybenzaldehyde (2) in five (from 3) or six steps (from 2). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.09.110
• 作为产物：
  描述：

  间苯三酚甲醛 在 盐酸 、 三氟化硼乙醚 、 四氯化钛 、 sodium cyanoborohydride 作用下， 以 甲醇 、 乙醚 、 二氯甲烷 、 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 12.0h， 生成 3-acetyl-2,4-dihydroxy-6-methoxy-5-methylbenzaldehyde
  参考文献：
  名称：

  Anti-AIDS agents 68. The first total synthesis of a unique potent anti-HIV chalcone from genus Desmos

  摘要：

  The first total synthesis of a unique highly functionalized and potent anti-HIV chalcone 1, isolated from genus Desmos, was achieved from commercially available 2,4,6-trihydroxytoluene (3) or 2,4,6-trihydroxybenzaldehyde (2) in five (from 3) or six steps (from 2). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.09.110

文献信息

• Anti-AIDS agents 68. The first total synthesis of a unique potent anti-HIV chalcone from genus Desmos
  作者：Kyoko Nakagawa-Goto、Kuo-Hsiung Lee

  DOI：10.1016/j.tetlet.2006.09.110

  日期：2006.11

  The first total synthesis of a unique highly functionalized and potent anti-HIV chalcone 1, isolated from genus Desmos, was achieved from commercially available 2,4,6-trihydroxytoluene (3) or 2,4,6-trihydroxybenzaldehyde (2) in five (from 3) or six steps (from 2). (c) 2006 Elsevier Ltd. All rights reserved.