3-Isopropyl-pentanedioic acid monomethyl ester | 1195182-08-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-Isopropyl-pentanedioic acid monomethyl ester
• 英文别名: 3-(2-Methoxy-2-oxoethyl)-4-methylpentanoic acid；5-methoxy-5-oxo-3-propan-2-ylpentanoic acid
• CAS: 1195182-08-1
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: NROHRSFUMBLWAL-UHFFFAOYSA-N

物化性质

• 熔点：
  100 °C(Solv: benzene (71-43-2))
• 沸点：
  295.0±23.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Isopropyl-pentanedioic acid monomethyl ester 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 生成 4-carbomethoxy-3-isopropylbutyroyl chloride
  参考文献：
  名称：

  An efficient asymmetric desymmetrization of prochiral glutaric anhydrides with SuperQuat chiral oxazolidin-2-ones

  摘要：

  The asymmetric desymmetrization of 3-substituted glutaric anhydrides 1 bearing silyl, aryl and alkyl groups with the lithium salt of chiral oxazolidin-2-ones has been studied. The effects of the substituents at the 4- and 5-positions of the oxazolidin-2-ones on the diastereoselectivity of the anhydride opening were studied in detail. A SuperQuat chiral oxazolidin-2-one 2e with 5,5-diaryl substituents showed optimum selectivity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.12.010
• 作为产物：
  描述：

  甲醇 、 3-isopropylglutaric anhydride 在 辛可宁 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 3-Isopropyl-pentanedioic acid monomethyl ester
  参考文献：
  名称：

  Hiratake, Jun; Inagaki, Minoru; Yamamoto, Yukio, Journal of the Chemical Society. Perkin transactions I, 1987, p. 1053 - 1058

  摘要：

  DOI：

文献信息

• Hiratake, Jun; Inagaki, Minoru; Yamamoto, Yukio, Journal of the Chemical Society. Perkin transactions I, 1987, p. 1053 - 1058
  作者：Hiratake, Jun、Inagaki, Minoru、Yamamoto, Yukio、Oda, Jun'ichi

  DOI：——

  日期：——
• An efficient asymmetric desymmetrization of prochiral glutaric anhydrides with SuperQuat chiral oxazolidin-2-ones
  作者：Narendra Chaubey、Sonali M. Date、Sunil K. Ghosh

  DOI：10.1016/j.tetasy.2008.12.010

  日期：2008.12

  The asymmetric desymmetrization of 3-substituted glutaric anhydrides 1 bearing silyl, aryl and alkyl groups with the lithium salt of chiral oxazolidin-2-ones has been studied. The effects of the substituents at the 4- and 5-positions of the oxazolidin-2-ones on the diastereoselectivity of the anhydride opening were studied in detail. A SuperQuat chiral oxazolidin-2-one 2e with 5,5-diaryl substituents showed optimum selectivity. (C) 2008 Elsevier Ltd. All rights reserved.