3,5,5-trimethylhexanoic anhydride | 94376-47-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3,5,5-trimethylhexanoic anhydride
• 英文别名: 3,5,5-trimethylhexanoyl 3,5,5-trimethylhexanoate
• CAS: 94376-47-3
• 化学式: C₁₈H₃₄O₃
• 分子量: 298.466
• InChiKey: SBUVJXWGEPFERU-UHFFFAOYSA-N

物化性质

• 沸点：
  116 °C(Press: 1 Torr)
• 密度：
  0.912±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,5,5-trimethylhexanoic anhydride 、 环丙沙星 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 生成 1-Cyclopropyl-6-fluoro-4-oxo-7-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]quinoline-3-carboxylic acid
  参考文献：
  名称：

  Studies on the antimicrobial properties of N-acylated ciprofloxacins

  摘要：

  Fluoroquinolone antibiotics have been a mainstay in the treatment of bacterial diseases. The most notable representative, ciprofloxacin, possesses potent antimicrobial activity; however, a rise in resistance to this agent necessitates development of novel derivatives to prolong the clinical lifespan of these antibiotics. Herein we have synthesized and analyzed the antimicrobial properties of a library of N-acylated ciprofloxacin analogues. We find that these compounds are broadly effective against Gram-positive and Gram-negative bacteria, with many proving more effective than the parental drug, and several possessing MICs <= 1.0 mu g/ml against methicillin-resistant Staphylococcus aureus and Bartonella species. An analysis of spontaneous mutation frequencies reveals very low potential for resistance in MRSA compared to existing fluoroquinolones. Mode of action profiling reveals that modification of the piperazinyl nitrogen by acylation does not alter the effect of these molecules towards their bacterial target. We also present evidence that these N-acylated compounds are highly effective at killing intracellular bacteria, suggesting the suitability of these antibiotics for therapeutic treatment. (c) 2012 Published by Elsevier

  DOI：

  10.1016/j.bmcl.2012.05.026
• 作为产物：
  描述：

  3,5,5-三甲基-1-己醇 在 air 、 银 、 magnesium acetate 、 乙酸酐 、 溶剂黄146 作用下， 生成 3,5,5-trimethylhexanoic anhydride
  参考文献：
  名称：

  Bruner, Industrial and Engineering Chemistry, 1949, vol. 41, p. 2861

  摘要：

  DOI：

文献信息

• [EN] PROCESS FOR THE PRODUCTION OF DIACYL PEROXIDES<br/>[FR] PROCÉDÉ DE PRODUCTION DE PEROXYDES DE DIACYLE
  申请人：NOURYON CHEMICALS INT BV

  公开号：WO2020249688A1

  公开（公告）日：2020-12-17

  Process for the production of a diacyl peroxide involving the reaction of an anhydride with hydrogen peroxide, removal of the formed carboxylic acid, production of an anhydride from said carboxylic acid, and recycling of the anhydride within the process.

  生产二酰过氧化物的过程涉及酐与过氧化氢的反应，去除形成的羧酸，从所述羧酸生产酐，并在过程中循环使用酐。
• 双季戊四醇单缩甲醛的六酯
  申请人：KH新化株式会社

  公开号：CN104768915B

  公开（公告）日：2016-05-04

  本发明提供双季戊四醇单缩甲醛的六酯等，其为式(I)所示的双季戊四醇单缩甲醛与羧酸的混合酯，所述羧酸包含碳原子数9的支链脂肪族一元羧酸和选自碳原子数4～8的脂肪族一元羧酸中的一种羧酸。该六酯作为冷冻机油组合物的一种成分等使用，对冷冻机油组合物赋予氧化稳定性、润滑性、低温特性等优良的性能。
• HEXAESTER OF MONO-FORMAL BIS PENTAERYTHRITOL
  申请人：KH NEOCHEM CO., LTD.

  公开号：US20150291502A1

  公开（公告）日：2015-10-15

  Provided is hexaester of bispentaerythritol monoformal, which comprises the bispentaerythritol monoformal represented by the following formula (I), and any one of carboxylic acids selected from C8 and C9 branched aliphatic monocarboxylic acids: The hexaester has well-balanced excellent characteristics, such as low temperature properties and oxidation stability, and is used for industrial lubricating oil, such as a refrigerant oil composition.

  提供的是双戊四醇单甲醛的六酯，包括以下式(I)所代表的双戊四醇单甲醛，以及从C8和C9支链脂肪族一元羧酸中选择的任一种羧酸：这种六酯具有良好的平衡特性，如低温性能和氧化稳定性，并用于工业润滑油，如制冷剂油组合物。
• [EN] PROCESS FOR THE PRODUCTION OF PEROXYESTERS<br/>[FR] PROCÉDÉ DE PRODUCTION DE PEROXYESTERS
  申请人：NOURYON CHEMICALS INT BV

  公开号：WO2020249689A1

  公开（公告）日：2020-12-17

  Process for the production of a peroxyester involving the reaction of an anhydride with an organic hydroperoxide, separation of the formed carboxylic acid, production of an anhydride from said carboxylic acid, and recycling of the anhydride within the process.

  生产过氧酯的工艺包括将酐与有机过氧化物反应，分离所形成的羧酸，从该羧酸中制备酐，并在过程中回收酐。
• Hexaester of mono-formal bis pentaerythritol
  申请人：KH Neochem Co., Ltd.

  公开号：US09365484B2

  公开（公告）日：2016-06-14

  Provided is hexaester of bispentaerythritol monoformal, which comprises the bispentaerythritol monoformal represented by the following formula (I), and any one of carboxylic acids selected from C8 and C9 branched aliphatic monocarboxylic acids: The hexaester has well-balanced excellent characteristics, such as low temperature properties and oxidation stability, and is used for industrial lubricating oil, such as a refrigerant oil composition.

  提供的是双戊四醇单甲醛的六酯，其中包括以下式子（I）所表示的双戊四醇单甲醛，以及从C8和C9支链脂肪单羧酸中选择的任意一种羧酸：该六酯具有良好的平衡性能，如低温性能和氧化稳定性，可用于工业润滑油，如制冷剂油组合物。