carbonic acid ethyl ester-tert-pentyl ester | 98560-74-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: carbonic acid ethyl ester-tert-pentyl ester
• 英文别名: Kohlensaeure-aethylester-tert-pentylester；Ethyl 2-methylbutan-2-yl carbonate
• CAS: 98560-74-8
• 化学式: C₈H₁₆O₃
• 分子量: 160.213
• InChiKey: MABBFSIXZWQISM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙基溴化镁 、 丙酮 在 乙醚 作用下， 生成 carbonic acid ethyl ester-tert-pentyl ester
  参考文献：
  名称：

  Kulibekow, 1957, vol. 5, p. 163,167

  摘要：

  DOI：

文献信息

• Method for Making Carbonates and Esters
  申请人：Belfadhel Hatem Abdallah

  公开号：US20100123097A1

  公开（公告）日：2010-05-20

  A method for forming a monomeric carbonate includes the step of combining a monofunctional alcohol or a difunctional diol with an ester-substituted diaryl carbonate to form a reaction mixture. Similarly, a method for forming a monomeric ester includes the step of combining a monofunctional carboxylic acid or ester with an ester-substituted diaryl carbonate to form a reaction mixture. These methods further include the step of allowing the reaction mixtures to react to form a monomeric carbonate or a monomeric ester, respectively.

  形成单体碳酸酯的方法包括将单官能醇或双官能二元醇与酯基取代的二芳基碳酸酯结合以形成反应混合物的步骤。类似地，形成单体酯的方法包括将单官能羧酸或酯与酯基取代的二芳基碳酸酯结合以形成反应混合物的步骤。这些方法进一步包括允许反应混合物反应以分别形成单体碳酸酯或单体酯的步骤。
• Prodrugs of Heteraromatic Compounds
  申请人：Alkermes Pharma Ireland Limited

  公开号：US20160009713A1

  公开（公告）日：2016-01-14

  The present invention relates to prodrugs of parent drug compounds containing heteroaromatic NH groups.

  本发明涉及含有杂芳基NH基团的母药化合物的前药。
• Visible-Light-Initiated Hydrooxygenation of Unactivated Alkenes─A Strategy for Anti-Markovnikov Hydrofunctionalization
  作者：Linda Quach、Subhabrata Dutta、Philipp M. Pflüger、Frederik Sandfort、Peter Bellotti、Frank Glorius

  DOI：10.1021/acscatal.1c05555

  日期：2022.2.18

  of unactivated alkenes is an indispensable mean in synthetic chemistry. Given that addition of electrophilic species into alkenes intrinsically follows the Markovnikov rule, a regioselectivity switch presents a major challenge. Herein, we present a visible-light-promoted strategy for the selective anti-Markovnikov hydrooxygenation of unactivated alkenes. Therefore, an innovative reagent was carefully

  未活化烯烃的加氢官能​​化是合成化学中不可或缺的手段。鉴于将亲电子物质添加到烯烃中本质上遵循马尔科夫尼科夫规则，区域选择性开关提出了一项重大挑战。在这里，我们提出了一种可见光促进的策略，用于对未活化的烯烃进行选择性抗马尔可夫尼科夫加氢氧化。因此，一种创新试剂经过精心设计，可在还原时释放出高反应性且严重欠发达的烷氧基羰氧基自由基，该自由基选择性地添加到烯烃中。从2-苯基丙二腈中提取氢原子是形成产物的关键。我们相信这种方法扩大了区域选择性加氢功能化的工具箱，并且可以作为已建立的硼氢化/氧化方案的补充策略。
• PROCESS FOR SYNTHESIZING OXIDIZED LACTAM COMPOUNDS
  申请人：Remenar Julius F.

  公开号：US20110275803A1

  公开（公告）日：2011-11-10

  The invention provides a method for the synthesis of dehydrogenated lactam drugs of Formula I:

  本发明提供了一种合成式I去氢内酰胺类药物的方法：
• Quaternary Ammonium Salt Prodrugs
  申请人：Almarsson Orn

  公开号：US20110178068A1

  公开（公告）日：2011-07-21

  The invention provides a method of sustained delivery of a tertiary amine-containing parent drug comprising administering to a patient an effective amount of a prodrug compound of the invention wherein upon administration to the patient, release of the parent drug from the prodrug is sustained release. Prodrug compounds suitable for use in the methods of the invention are labile quaternary ammonium salts of tertiary amine-containing parent drugs (or tertiary imine-containing parent drugs) that are derivatized through aldehyde-linked prodrug moieties that reduce the solubility of the prodrug compound at a reference pH as compared to the parent drug. The physical, chemical and solubility properties of these derivatives can be further modulated by the choice of counterion X − . In one embodiment, the present invention provides a prodrug compound of Formula I: where R 1 -R 5 are defined in the written description of the invention. The prodrug compounds of the invention can be used to treat any condition for which the tertiary amine-containing parent drug or tertiary imine-containing parent drug is useful as a treatment.

  本发明提供了一种持续释放三级胺含有的母药的方法，包括向患者施用本发明的前药化合物的有效量，其中在向患者施用时，母药从前药中的释放是持续释放的。适用于本发明方法的前药化合物是由醛基连接的前药基团衍生的，这些前药基团可以减少前药化合物在参考pH下的溶解度与母药相比。这些衍生物的物理、化学和溶解度特性可以通过选择阴离子X-来进一步调节。在一种实施方式中，本发明提供了式I的前药化合物：其中R1-R5在发明的书面描述中被定义。本发明的前药化合物可用于治疗任何需要使用三级胺含有的母药或三级亚胺含有的母药进行治疗的情况。