2-Ethyl-heptan-dicarbonsaeure-(1,1)-diethylester | 92857-68-6

• 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: 2-Ethyl-heptan-dicarbonsaeure-(1,1)-diethylester
• 英文别名: Diethyl 2-octan-3-ylpropanedioate
• CAS: 92857-68-6
• 化学式: C₁₅H₂₈O₄
• 分子量: 272.385
• InChiKey: CUEBELXSCZWBPA-UHFFFAOYSA-N

物化性质

• 沸点：
  294.8±8.0 °C(Predicted)
• 密度：
  0.959±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Ethyl-heptan-dicarbonsaeure-(1,1)-diethylester 生成 (E)-2-(1-Ethyl-hexyl)-5,9-dimethyl-deca-4,8-dienoic acid
  参考文献：
  名称：

  Some alkyldimethyldecadienoic acids

  摘要：

  DOI：

  10.1007/bf01151381
• 作为产物：
  描述：

  3-溴辛烷 、 sodium diethylmalonate 生成 2-Ethyl-heptan-dicarbonsaeure-(1,1)-diethylester
  参考文献：
  名称：

  865.自由基加成的综合方面。第一部分丙二酸酯和相关化合物的自由基烷基化

  摘要：

  DOI：

  10.1039/jr9620004468

文献信息

• Midgley, Gary; Thomas, C. Barry, Journal of the Chemical Society. Perkin transactions II, 1984, # 9, p. 1537 - 1544
  作者：Midgley, Gary、Thomas, C. Barry

  DOI：——

  日期：——
• Dox, Journal of the American Chemical Society, 1924, vol. 46, p. 1709
  作者：Dox

  DOI：——

  日期：——
• LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS
  申请人：CARNEGIE MELLON UNIVERSITY

  公开号：EP0914206B1

  公开（公告）日：2002-12-11
• OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS
  申请人：Carnegie Mellon University

  公开号：EP3353157B1

  公开（公告）日：2021-11-24
• [EN] IMPROVED SYNTHESIS OF MACROCYCLIC TETRAAMIDO COMPOUNDS AND NEW METAL INSERTION PROCESS<br/>[FR] SYNTHESE AMELIOREE DE COMPOSES TETRAAMIDO-MACROCYCLIQUES ET NOUVEAU PROCEDE D'INSERTION D'UN METAL
  申请人：UNIV CARNEGIE MELLON

  公开号：WO2004076425A1

  公开（公告）日：2004-09-10

  An improved method of synthesizing a macrocyclic tetraamido compound includes protecting the amino portion of an amino carboxylic acid to form a protected amino carboxylic acid; exposing the protected amino carboxylic acid to a first solvent, preferably a hydrocarbon solvent, such as toluene or 1,2-dichloroethane, dichloromethane, dibromomethane and 1,2-dibromoethane. The carboxylic acid portion of the protected amino carboxylic acid is then converted to an activated carboxylic acid by one of esterification or acid halide formation, to form a protected amino activated carboxylic acid derivative. The protected amino activated carboxylic acid derivative is reacted with a diamine in the presence of a second solvent, such as THF or ,2-dichloroethane, dichloromethane, dibromomethane and 1,2-dibromoethane, to form a protected diamide diamine intermediate. Following deprotection, the diamide diamine intermediate is reacted with an activated diacid, such as an activated malonate, oxalate or succinate derivative to form the macrocyclic tetraamido compound. The macrocyclic tetraamido compound may further be complexed with a transition metal.