(R)-1-(4-chlorophenyl)-1-cyclopropyl-methyl acetate | 1334817-80-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-1-(4-chlorophenyl)-1-cyclopropyl-methyl acetate
• CAS: 1334817-80-9
• 化学式: C₁₂H₁₃ClO₂
• 分子量: 224.687
• InChiKey: UTBXURFFINFTHH-GFCCVEGCSA-N

物化性质

• 沸点：
  293.1±15.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (R)-1-(4-chlorophenyl)-1-cyclopropyl-methyl acetate 在 potassium hydroxide 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以97.8%的产率得到(R)-1-(4-chlorophenyl)-1-cyclopropyl-methanol
  参考文献：
  名称：

  Asymmetric preparation of antifungal 1-(4′-chlorophenyl)-1-cyclopropyl methanol and 1-(4′-chlorophenyl)-2-phenylethanol. Study of the detoxification mechanism by Botrytis cinerea

  摘要：

  Chiral alcohols are important as bioactive compounds or as precursors to such molecules. On the basis of the different antifungal properties of the enantiopure alcohol derivatives of 4'-chlorophenyl cyclopropyl ketone and benzyl 4'-chlorophenyl ketone, their enantioselective synthesis by chemical and biocatalytic methods was studied. The detoxification pathways by the phytopathogen fungus Bonytis cinerea are reported. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.02.005
• 作为产物：
  描述：

  4-氯苯基环丙基甲酮 在 sodium tetrahydroborate 、 Porcine pancreas lipase type II 作用下， 以 甲醇 、 二氯甲烷 、 甲基叔丁基醚 为溶剂， 反应 264.0h， 生成 (R)-1-(4-chlorophenyl)-1-cyclopropyl-methyl acetate
  参考文献：
  名称：

  Asymmetric preparation of antifungal 1-(4′-chlorophenyl)-1-cyclopropyl methanol and 1-(4′-chlorophenyl)-2-phenylethanol. Study of the detoxification mechanism by Botrytis cinerea

  摘要：

  Chiral alcohols are important as bioactive compounds or as precursors to such molecules. On the basis of the different antifungal properties of the enantiopure alcohol derivatives of 4'-chlorophenyl cyclopropyl ketone and benzyl 4'-chlorophenyl ketone, their enantioselective synthesis by chemical and biocatalytic methods was studied. The detoxification pathways by the phytopathogen fungus Bonytis cinerea are reported. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2011.02.005