methyl 3,5-dihydroxy-6-heptenoate | 116645-18-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羟基酸及其衍生物
• 英文名称: methyl 3,5-dihydroxy-6-heptenoate
• 英文别名: β,δ-dihydroxy-6-heptenoic acid, methyl ester；beta,delta-Dihydroxy-6-heptenoic acid, methyl ester；methyl 3,5-dihydroxyhept-6-enoate
• CAS: 116645-18-2
• 化学式: C₈H₁₄O₄
• 分子量: 174.197
• InChiKey: CWGIFURHYMAUMX-UHFFFAOYSA-N

物化性质

• 沸点：
  295.9±40.0 °C(Predicted)
• 密度：
  1.124±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3,5-dihydroxy-6-heptenoate 、 混旋樟脑磺酸 以 二氯甲烷 、 2,2-二甲氧基丙烷 为溶剂， 反应 16.0h， 以Concentration of the reaction mixture and flashchromatography of the residue yielded 1.1 g of 6-ethenyl-2,2-dimethyl-1,3-dioxane-4- acetic acid, methyl ester which的产率得到6-ethenyl-2,2-dimethyl-1,3-dioxane-4-acetic acid, methyl ester
  参考文献：
  名称：

  Treating fungal infections with

  摘要：

  本发明揭示了一种使用1,3,5-三取代-4-(4-羟基-2-氧代吡喃-6-基)吡唑处理哺乳动物真菌感染的方法。

  公开号：

  US04751229A1
• 作为产物：
  描述：

  methyl 5-hydroxy-3-oxo-6-heptenoate 生成 methyl 3,5-dihydroxy-6-heptenoate
  参考文献：
  名称：

  Inhibitors of cholesterol biosynthesis. 2. 1,3,5-Trisubstituted [2-(tetrahydro-4-hydroxy-2-oxopyran-6-yl)ethyl]pyrazoles

  摘要：

  A series of 1,3,5-trisubstituted pyrazole mevalonolactones were prepared and evaluated for their ability to inhibit the enzyme HMG-CoA reductase in vitro. Since previous studies suggested that the 5-(4-fluorophenyl) and 3-(1-methylethyl) substituents afforded optimum potency, attention was focused on variations in position 1 of the pyrazole ring. Biological evaluation of analogues bearing a variety of 1-substituents suggested that, although most substituents were tolerated, none afforded an advantage over phenyl, which exhibited potency comparable to that of compactin in vitro.

  DOI：

  10.1021/jm00163a006

文献信息

• Process for the synthesis of 1,3-diols
  申请人：Bosch Lee Robert

  公开号：US20050197500A1

  公开（公告）日：2005-09-08

  An improved process for the preparation of cis-1,3-diols is described where a beta hydroxy ketone is treated with a trialkylborane or dialkylalkoxyborane or a mixture of a trialkylborane and a dialkylalkoxyborane followed by recovery and reuse of the alkylborane species to convert additional beta hydroxy ketone to the cis-1,3-diol.

  本发明描述了一种改进的制备顺式-1,3-二醇的过程，其中将β-羟基酮与三烷基硼烷或二烷氧基硼烷或三烷基硼烷和二烷氧基硼烷混合物处理，然后回收和重复使用烷基硼烷物种将额外的β-羟基酮转化为顺式-1,3-二醇。
• PROCESS FOR THE SYNTHESIS OF 1,3-DIOLS
  申请人：Warner-Lambert Export Limited

  公开号：EP1054860A1

  公开（公告）日：2000-11-29
• US6433213B1
  申请人：——

  公开号：US6433213B1

  公开（公告）日：2002-08-13
• US6596879B2
  申请人：——

  公开号：US6596879B2

  公开（公告）日：2003-07-22
• US7232915B2
  申请人：——

  公开号：US7232915B2

  公开（公告）日：2007-06-19