(+)-3-Isopropyl-3-methoxycarbonyl-3-methyl-propionsaeure | 40266-80-6

• 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-3-methoxycarbonyl-3-methyl-propionsaeure
• 英文别名: (+)-2-Isopropyl-2-methylbernsteinsaeure-1-methylester；(3S)-3-methoxycarbonyl-3,4-dimethylpentanoic acid
• CAS: 40266-80-6
• 化学式: C₉H₁₆O₄
• 分子量: 188.224
• InChiKey: YPZWSLKREKILGZ-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  5
• 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-3-methoxycarbonyl-3-methyl-propionsaeure 在 盐酸 作用下， 生成 (S)-2-isopropyl-2-methyl-succinic acid
  参考文献：
  名称：

  真菌的化学。第LXVIII部分。2-异丙基-2-甲基-琥珀酸和-戊二酸的绝对构型：一些所得的立体化学校正

  摘要：

  由（+）-2-异丙基-2-甲基琥珀酸制备了（+）-2-异丙基-2-甲基戊二酸。这些酸的绝对构型已经通过（+）-methyl甲基1-甲基-2-异丙基-2-甲基琥珀酸酯的X射线晶体学检查定义为S。

  DOI：

  10.1039/p19730000174
• 作为产物：
  描述：

  (+/-)-2-Isopropyl-2-methyl-bernsteinsaeure 在 氢氧化钾 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 生成 (+)-3-Isopropyl-3-methoxycarbonyl-3-methyl-propionsaeure
  参考文献：
  名称：

  Toward the Development of a General Chiral Auxiliary. 9. Highly Diastereoselective Alkylations and Acylations to Form Tertiary and Quaternary Centers

  摘要：

  [GRAPHICS]Enolates of a new camphor-derived lactam auxiliary are shown to monoalkylate with very high diastereoselectivity. A second alkylation occurs with reactive alkylating agents to afford quaternary centers also with high diastereoselectivity, In accord with a proposed model for diastereoselection, lithium and sodium enolates provide products with an opposite sense of asymmetric induction.

  DOI：

  10.1021/ol016738i

文献信息

• The absolute configuration of (+)-2-methyl-2-isopropylglutaric and (+)-2-methyl-2-isopropylsuccinic acid
  作者：M. R. Cox、H. P. Koch、W. B. Whalley、M. B. Hursthouse、D. Rogers

  DOI：10.1039/c19670000212

  日期：——
• Toward the Development of a General Chiral Auxiliary. 9. Highly Diastereoselective Alkylations and Acylations to Form Tertiary and Quaternary Centers
  作者：Robert K. Boeckman,、Debra J. Boehmler、Rhonda A. Musselman

  DOI：10.1021/ol016738i

  日期：2001.11.1

  [GRAPHICS]Enolates of a new camphor-derived lactam auxiliary are shown to monoalkylate with very high diastereoselectivity. A second alkylation occurs with reactive alkylating agents to afford quaternary centers also with high diastereoselectivity, In accord with a proposed model for diastereoselection, lithium and sodium enolates provide products with an opposite sense of asymmetric induction.
• The chemistry of fungi. Part LXVIII. Absolute configuration of 2-iso-propyl-2-methyl-succinic and -glutaric acids: some resultant stereo-chemical corrections
  作者：M. R. Cox、H. P. Koch、W. B. Whalley

  DOI：10.1039/p19730000174

  日期：——

  (+)-2-Isopropyl-2-methylglutaric acid has been prepared from (+)-2-isopropyl-2-methylsuccinic acid. The absolute configuration of these acids has been defined as S by an X-ray crystallographic examination of (+)-rubidium 1-methyl 2-isopropyl-2-methylsuccinate.

  由（+）-2-异丙基-2-甲基琥珀酸制备了（+）-2-异丙基-2-甲基戊二酸。这些酸的绝对构型已经通过（+）-methyl甲基1-甲基-2-异丙基-2-甲基琥珀酸酯的X射线晶体学检查定义为S。