1-tert-Butyldimethylsilyloxyhexane-4,6-dione | 192197-10-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-tert-Butyldimethylsilyloxyhexane-4,6-dione
• 英文别名: 7-[Tert-butyl(dimethyl)silyl]oxyheptane-2,4-dione
• CAS: 192197-10-7
• 化学式: C₁₃H₂₆O₃Si
• 分子量: 258.433
• InChiKey: XJLSZXFEVDSHDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.34
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-tert-Butyldimethylsilyloxyhexane-4,6-dione 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 84.0h， 生成 N-(1-(4-tert-Butylphenyl)-2-propyl)-2-amino-4-(3-hydroxypropyl)-6-methylpyrimidine
  参考文献：
  名称：

  Rationally Designed Guanidine and Amidine Fungicides

  摘要：

  A previous investigation established that compounds containing a guanidinium or amidinium grouping are effective inhibitors of sterol Delta(8)-Delta(7) isomerase and/or Delta(14) reductase activity in plant pathogenic fungi. A binding model for known fungicidal inhibitors of this enzyme has now been used to rationally design further guanidinium or amidinium inhibitors. Three novel classes of chemistry were investigated. The results of biochemical testing against ergosterol biosynthesis in Ustilago maydis (DC) Corda and of in-vivo testing for fungicidal activity against Erysiphe graminis DC f. sp, hordei Marchal (powdery mildew of barley), do much to support the binding model, and compounds with significant fungicidal activity have been found.

  DOI：

  10.1002/(sici)1096-9063(199707)50:3<258::aid-ps587>3.0.co;2-3
• 作为产物：
  描述：

  叔丁基-(2-碘乙氧基)二甲基硅烷 、 乙酰丙酮 在 sodium hydride 、 正丁基锂 作用下， 以 乙二醇二甲醚 、 正己烷 为溶剂， 反应 9.0h， 以35%的产率得到1-tert-Butyldimethylsilyloxyhexane-4,6-dione
  参考文献：
  名称：

  Rationally Designed Guanidine and Amidine Fungicides

  摘要：

  A previous investigation established that compounds containing a guanidinium or amidinium grouping are effective inhibitors of sterol Delta(8)-Delta(7) isomerase and/or Delta(14) reductase activity in plant pathogenic fungi. A binding model for known fungicidal inhibitors of this enzyme has now been used to rationally design further guanidinium or amidinium inhibitors. Three novel classes of chemistry were investigated. The results of biochemical testing against ergosterol biosynthesis in Ustilago maydis (DC) Corda and of in-vivo testing for fungicidal activity against Erysiphe graminis DC f. sp, hordei Marchal (powdery mildew of barley), do much to support the binding model, and compounds with significant fungicidal activity have been found.

  DOI：

  10.1002/(sici)1096-9063(199707)50:3<258::aid-ps587>3.0.co;2-3

文献信息

• Rationally Designed Guanidine and Amidine Fungicides
  作者：John W. Liebeschuetz、Ruth B. Katz、Albert D. Duriatti、Mary L. Arnold

  DOI：10.1002/(sici)1096-9063(199707)50:3<258::aid-ps587>3.0.co;2-3

  日期：1997.7

  A previous investigation established that compounds containing a guanidinium or amidinium grouping are effective inhibitors of sterol Delta(8)-Delta(7) isomerase and/or Delta(14) reductase activity in plant pathogenic fungi. A binding model for known fungicidal inhibitors of this enzyme has now been used to rationally design further guanidinium or amidinium inhibitors. Three novel classes of chemistry were investigated. The results of biochemical testing against ergosterol biosynthesis in Ustilago maydis (DC) Corda and of in-vivo testing for fungicidal activity against Erysiphe graminis DC f. sp, hordei Marchal (powdery mildew of barley), do much to support the binding model, and compounds with significant fungicidal activity have been found.