4-Methyl-4-prop-2-enylnaphthalene-1,3-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-Methyl-4-prop-2-enylnaphthalene-1,3-dione
• 英文别名: 4-methyl-4-prop-2-enylnaphthalene-1,3-dione
• 化学式: C₁₄H₁₄O₂
• 分子量: 214.264
• InChiKey: AGWRYKYCGOHPIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-Methyl-4-prop-2-enylnaphthalene-1,3-dione 、 tris-methylsulfanyl-methane sulfuric acid monomethyl ester salt 在 吡啶 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.5h， 以96%的产率得到4-allyl-2-[bis(methylthio)methylene]-4-methylnaphthalene-1,3(2H,4H)-dione
  参考文献：
  名称：

  Inhibitors of HCV NS5B polymerase: Synthesis and structure–activity relationships of unsymmetrical 1-hydroxy-4,4-dialkyl-3-oxo-3,4-dihydronaphthalene benzothiadiazine derivatives

  摘要：

  Substituted 1-hydroxy-4,4-dialkyl-3-oxo-3,4-dihydronaphthalene benzothiadiazine derivatives were investigated as inhibitors of genotype 1 HCV polymerase. Structure-activity relationship patterns for this class of compounds are discussed. It was found that the saturated alkane dialkyl units provided the most active analogs. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.072
• 作为产物：
  描述：

  4-allyl-3-methoxy-4-methylnaphthalen-1(4H)-one 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以80%的产率得到4-Methyl-4-prop-2-enylnaphthalene-1,3-dione
  参考文献：
  名称：

  Inhibitors of HCV NS5B polymerase: Synthesis and structure–activity relationships of unsymmetrical 1-hydroxy-4,4-dialkyl-3-oxo-3,4-dihydronaphthalene benzothiadiazine derivatives

  摘要：

  Substituted 1-hydroxy-4,4-dialkyl-3-oxo-3,4-dihydronaphthalene benzothiadiazine derivatives were investigated as inhibitors of genotype 1 HCV polymerase. Structure-activity relationship patterns for this class of compounds are discussed. It was found that the saturated alkane dialkyl units provided the most active analogs. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.072

文献信息

• Inhibitors of HCV NS5B polymerase: Synthesis and structure–activity relationships of unsymmetrical 1-hydroxy-4,4-dialkyl-3-oxo-3,4-dihydronaphthalene benzothiadiazine derivatives
  作者：A. Chris Krueger、Darold L. Madigan、Brian E. Green、Douglas K. Hutchinson、Wen W. Jiang、Warren M. Kati、Yaya Liu、Clarence J. Maring、Sherie V. Masse、Keith F. McDaniel、Tim R. Middleton、Hongmei Mo、Akhteruzzaman Molla、Debra A. Montgomery、Teresa I. Ng、Dale J. Kempf

  DOI：10.1016/j.bmcl.2007.01.072

  日期：2007.4

  Substituted 1-hydroxy-4,4-dialkyl-3-oxo-3,4-dihydronaphthalene benzothiadiazine derivatives were investigated as inhibitors of genotype 1 HCV polymerase. Structure-activity relationship patterns for this class of compounds are discussed. It was found that the saturated alkane dialkyl units provided the most active analogs. (c) 2007 Elsevier Ltd. All rights reserved.