Methyl 1-acetyl-2-methylcyclopropane-1-carboxylate | 129432-93-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: Methyl 1-acetyl-2-methylcyclopropane-1-carboxylate
• CAS: 129432-93-5；129433-04-1
• 化学式: C₈H₁₂O₃
• 分子量: 156.181
• InChiKey: LXCCHMPCDQUDIH-UHFFFAOYSA-N

物化性质

• 沸点：
  195.7±23.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  crotyltriphenylphosphonium bromide 、 乙酰乙酸甲酯 在 sodium hydride 作用下， 以 吡啶 、 甲苯 为溶剂， 反应 24.0h， 生成 Methyl 1-acetyl-2-methylcyclopropane-1-carboxylate
  参考文献：
  名称：

  Synthesis of 1-Acyl-2-alkylcyclopropanecarboxylic Esters from 2-Alkenylphosphonium Salts

  摘要：

  醇基三苯基膦溴化物与β-酮酯的钠盐进行一锅反应，生成烷基1-酰基-2-烷基环丙烷羧酸酯。

  DOI：

  10.1055/s-1990-26858

文献信息

• Method for Producing Fluorine-Containing Cyclopropane Carboxylic Acid Compound
  申请人：CENTRAL GLASS COMPANY, LIMITED

  公开号：US20180186763A1

  公开（公告）日：2018-07-05

  The present invention provides an industrially applicable method for production of a fluorine-containing cyclopropane carboxylic acid compound useful as an intermediate for pharmaceutical and agrichemical products. A fluorine-containing cyclopropane monoester is obtained by: forming a fluorine-containing cyclic sulfate with the use of a fluorine-containing dial compound and sulfuryl fluoride (as a cyclic sulfuric esterification step); reacting the fluorine-containing cyclic sulfate with a malonic diester, thereby forming a fluorine-containing cyclopropane diester (as a cyclopropanation step); and hydrolyzing the fluorine-containing cyclopropane diester (as a hydrolysis step). The fluorine-containing cyclopropane carboxylic acid compound, such as fluorine-containing cyclopropane monoester or its salt, can be obtained with high chemical and optical purity by mixing the fluorine-containing cyclopropane monoester with an amine and subjecting the resulting salt of the fluorine-containing cyclopropane monoester and amine to recrystallization purification.

  本发明提供了一种工业上可应用的生产含氟环丙烷羧酸化合物的方法，该化合物可用作制药和农药产品的中间体。通过以下步骤获得含氟环丙烷单酯：使用含氟二醇化合物和氟磺酰氟形成含氟环状硫酸酯（作为环状硫酸酯化步骤）；将含氟环状硫酸酯与丙二酸二酯反应，从而形成含氟环丙烷二酯（作为环丙烷化步骤）；并水解含氟环丙烷二酯（作为水解步骤）。通过将含氟环丙烷单酯与胺混合并将所得的含氟环丙烷单酯和胺的盐进行重结晶纯化，可以获得高化学和光学纯度的含氟环丙烷羧酸化合物，例如含氟环丙烷单酯或其盐。
• INHIBITORS OF HEPATITIS C VIRUS
  申请人：Gilead Sciences, Inc.

  公开号：US20170290827A1

  公开（公告）日：2017-10-12

  Compounds of Formula I are disclosed As well as pharmaceutically acceptable salts thereof. Methods of using said compounds and pharmaceutical compositions containing said compounds are also disclosed.