1-甲基环戊基乙酸酯 | 26600-59-9

• 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
• 中文名称: 1-甲基环戊基乙酸酯
• 英文名称: 1-Methyl-cyclopentylacetat
• 英文别名: 1-Methylcyclopentyl acetate；(1-methylcyclopentyl) acetate
• CAS: 26600-59-9
• 化学式: C₈H₁₄O₂
• 分子量: 142.198
• InChiKey: IZJQMOGXWFIYFU-UHFFFAOYSA-N

物化性质

• 沸点：
  155-156 °C
• 密度：
  0.946 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-甲基环戊基乙酸酯 生成 1-甲基环戊烯
  参考文献：
  名称：

  The Direction of Elimination in the Pyrolysis of Acetates¹

  摘要：

  DOI：

  10.1021/ja01512a034
• 作为产物：
  描述：

  1-甲基环戊醇 、 乙酰氯 在 吡啶 作用下， 以 乙醚 为溶剂， 生成 1-甲基环戊基乙酸酯
  参考文献：
  名称：

  Nucleophilic Reactivity of the Carbon-Carbon Double Bond. III. A Comparison of the Solvolytic Behavior of 5-Hexenyl and Cyclopentylcarbinyl p-Nitrobenzenesulfonates¹

  摘要：

  DOI：

  10.1021/ja01084a027

文献信息

• [EN] TRICYCLIC DEGRADERS OF IKAROS AND AIOLOS<br/>[FR] AGENTS DE DÉGRADATION TRICYCLIQUES D'IKAROS ET D'AIOLOS
  申请人：C4 THERAPEUTICS INC

  公开号：WO2020210630A1

  公开（公告）日：2020-10-15

  Tricyclic cereblon binders for the degradation of Ikaros or Aiolos by the ubiquitin proteasome pathway for therapeutic applications are described.

  三环脑蛋白结合剂通过泛素蛋白酶体途径降解Ikaros或Aiolos以用于治疗应用的描述。
• PRODRUGS OF NH-ACIDIC COMPOUNDS: ESTER, CARBONATE, CARBAMATE AND PHOSPHONATE DERIVATIVES
  申请人：Blumberg Laura Cook

  公开号：US20110319422A1

  公开（公告）日：2011-12-29

  The invention provides a method of sustained delivery of a lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug by 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 conjugates of parent drugs that are derivatized through carbonyl linked prodrug moieties. The prodrug compounds of the invention can be used to treat any condition for which the lactam, imide, amide, sulfonamide, carbamate or urea containing parent drug is useful as a treatment.

  该发明提供了一种持续释放内酰胺、亚酰胺、酰胺、磺胺、碳酸酯或尿素含有母药的方法，通过向患者施用该发明的一种前药化合物的有效量，在向患者施用后，从前药中释放母药是持续释放的。适用于该发明方法的前药化合物是母药的不稳定结合物，通过羰基连接的前药基团进行衍生化。该发明的前药化合物可用于治疗任何需要内酰胺、亚酰胺、酰胺、磺胺、碳酸酯或尿素含有母药作为治疗的情况。
• To Rebound or...Rebound? Evidence for the “Alternative Rebound” Mechanism in C–H Oxidations by the Systems Nonheme Mn Complex/H₂O₂/Carboxylic Acid
  作者：Roman V. Ottenbacher、Anna A. Bryliakova、Mikhail V. Shashkov、Evgenii P. Talsi、Konstantin P. Bryliakov

  DOI：10.1021/acscatal.1c00811

  日期：2021.5.7

  functional theory calculations provide evidence in favor of the rate-limiting benzylic H atom abstraction by the high-spin (S = 1) [LMnV(O)OAc]2+ active species followed by competitive OH/OC(O)R rebound. This mechanism has been unprecedented for C–H oxidations catalyzed by bioinspired Mn complexes. The trends governing the alcohol/ester ratios have been rationalized in terms of steric properties of the catalyst

  在这项工作中，已经表明，通过生物启发的催化剂体系Mn氨基吡啶配合物/ H 2 O 2 /羧酸在乙腈中的脂肪族CH氧化主要提供了相应的醇和酯的混合物。对于在氨基吡啶核上带有给电子基团的催化剂而言，醇/酯比较高。同位素标记研究表明，醇的氧原子源自H 2 O 2分子，而酯氧仅来自酸。在乙酸存在下氧化乙苯可得到对映异构体富集的1-苯基乙醇和乙酸1-苯基酯，具有对映异构体选择性和绝对手性相同的征兆。实验数据和密度泛函理论计算为高速率（S = 1）[LMn V（O）OAc] 2+活性物质接着是竞争性OH / OC（O ）提倡限速苄基H原子的提取提供了证据。R反弹。这种机制对于由生物启发的Mn络合物催化的CH–H氧化是前所未有的。就催化剂，酸和底物的空间性质而言，控制醇/酯比的趋势已经合理化。
• Methods for Producing Fluorine-Containing Hydroxyaldehyde, Fluorine-Containing Propanediol, and Fluorine-Containing Alcohol Monomer
  申请人：Central Glass Company, Limited

  公开号：US20150361026A1

  公开（公告）日：2015-12-17

  As shown by the following reaction formula, disclosed is a fluorine-containing hydroxyaldehyde production method, including the step of obtaining a fluorine-containing hydroxyaldehyde represented by the general formula (1) by reacting a fluorine-containing ketone represented by the general formula (4) and an aldehyde represented by the general formula (5) in the presence of an organic base selected from a heterocyclic compound which contains a nitrogen atom in its ring or a tertiary amine. By this production method, it is possible to obtain the fluorine-containing hydroxyaldehyde in a high yield. Furthermore, it is possible to easily obtain in high yields a fluorine-containing propanediol, which is a derivative of this fluorine-containing hydroxyaldehyde, and a fluorine-containing alcohol monomer by using the same.

  根据以下反应方程式，揭示了一种含氟羟基醛的生产方法，包括通过在选择的含氟酮（通式（4）表示）和醛（通式（5）表示）在含有从含有氮原子的杂环化合物或三级胺中选择的有机碱的情况下反应，获得由通式（1）表示的含氟羟基醛的步骤。通过这种生产方法，可以高产率地获得含氟羟基醛。此外，可以通过使用相同方法轻松高产率地获得含氟丙二醇（这是这种含氟羟基醛的衍生物）和含氟醇单体。
• Functionalisation of saturated hydrocarbons. part x.1 a comparative study of chemical and electrochemical processes (gif and gif-orsay systems) in pyridine in acetone and in pyridine-co-solvent mixtures
  作者：Gilbert Balavoine、Derek H.R. Barton、Jean Boivin、Aurore Gref、Pascale Le Coupanec、Nubar Ozballk、José A.X. Pestana、Henriette Rivière

  DOI：10.1016/s0040-4020(01)85889-0

  日期：1988.1

  Six saturated hydrocarbons (cyclohexane, 3-ethylpentane, methylcyclopentane, - and -decalin and adamantane) were oxidised by the GifIV system (iron catalyst, oxygen, zinc, carboxylic acid) and its electrochemical equivalent (Gif-Orsay system). Results obtained using various solvents (pyridine, acetone, pyridine-acetone mixtures) were similar for both systems. Total or partial replacement of pyridine

  六种饱和烃（环己烷，3-乙基戊烷，甲基环戊烷，-和-十氢化萘和金刚烷）被Gif IV系统（铁催化剂，氧气，锌，羧酸）及其电化学当量（Gif-Orsay系统）氧化。对于两种系统，使用各种溶剂（吡啶，丙酮，吡啶-丙酮混合物）获得的结果均相似。用丙酮完全或部分取代吡啶会影响仲位的选择性，并降低酮/仲醇比。由-和-十氢化萘形成相同比例的-和-十氢-9-醇清楚地表明，叔醇是由本质上是自由基的机理产生的。