庚二酸单乙酯钾盐 | 122947-33-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 庚二酸单乙酯钾盐
• 英文名称: potassium ethyl pimelate
• 英文别名: heptanedioic acid monoethyl ester potassium salt；potassium;7-ethoxy-7-oxoheptanoate
• CAS: 122947-33-5
• 化学式: C₉H₁₅O₄*K
• 分子量: 226.314
• InChiKey: ZOWGLVYCHSLOGS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.75
• 重原子数：
  14
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  庚二酸单乙酯钾盐 在 dirhodium tetraacetate 、 草酰氯 、 碘 作用下， 以 乙醚 、 苯 为溶剂， 反应 15.0h， 生成 ostopanic acid ethyl ester
  参考文献：
  名称：

  Total synthesis of ostopanic acid, a plant cytotoxin via cyclopropanation of 2-N-hexylfuran

  摘要：

  DOI：

  10.1021/jo00282a031
• 作为产物：
  描述：

  庚二酸二乙酯 在 potassium hydroxide 作用下， 以9 g的产率得到庚二酸单乙酯钾盐
  参考文献：
  名称：

  [EN] 2-AMINO-1,3,4-THIADIAZINE AND 2-AMINO-1,3,4-OXADIAZINE BASED ANTIFUNGAL AGENTS
  [FR] AGENTS ANTIFONGIQUES À BASE DE 2-AMINO-1,3,4-THIADIAZINE ET DE 2-AMINO-1,3,4-OXADIAZINE

  摘要：

  该发明提供了一种化合物，其为式(I)的二氮杂环化合物或其互变异构体，或其药学上可接受的盐，用作抗真菌剂：(I)其中X、N'、C'、A和E如本文所定义。该发明还提供了一种如本文所定义的式(I)的化合物。

  公开号：

  WO2017009651A1

文献信息

• Novel Linear Tetrapyrroles: Hydrogen Bonding in Diacetylenic Bilirubins
  作者：Bin Tu、Brahmananda Ghosh、David A. Lightner

  DOI：10.1007/s00706-003-0157-3

  日期：2004.5.1

  Bilirubin congeners with dipyrrinones conjoined to a diaceteylene unit (-Cequivalent toC-Cequivalent toC-) rather than to -CH2- were synthesized and examined spectroscopically. This new class of rubrified linear tetrapyrroles cannot easily fold or bend in the middle, but the dipyrrinones can rotate independently about the diacetylene unit. Thus, unlike bilirubin, which is bent in the middle and has a ridge-tile shape, the diacetylene unit orients the attached dipyrrinones along a linear path, and intramolecular hydrogen bonding between the dipyrrinones and opposing carboxylic acids preserves a twisted linear molecular shape when the usual propionic acids are replaced by hexanoic. In a bis-hexanoic acid rubin, the extended planes of the dipyrrinones intersect along the -(Cequivalent toC)(2)- axis at an angle of 102degrees for the conformation stabilized by intramolecular hydrogen bonding. With propionic acid chains, however, neither CO2H can engage an opposing dipyrrinone in intramolecular hydrogen bonding, and the energy-minimum conformation of this linear pigment, shows nearly co-planar dipyrrinones, with an intersection of an angle of similar to180degrees of the extended planes of the dipyrrinones. Spectroscopic evidence for such linearized and twisted (bis-hexanoic) and planar (bis-propionic) structures comes from the pigments' NMR spectral data and their exciton UV-Vis and induced circular dichroism spectra.
• SHEU, JYH-HORNG;YEN, CHING-FEN;HUANG, HUA-CHIH;HONG, YEN-LONG VINCENT, J. ORG. CHEM., 54,(1989) N1, C. 5126-5128
  作者：SHEU, JYH-HORNG、YEN, CHING-FEN、HUANG, HUA-CHIH、HONG, YEN-LONG VINCENT

  DOI：——

  日期：——