Carbonic acid ethyl ester pentafluorophenyl ester | 152685-14-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Carbonic acid ethyl ester pentafluorophenyl ester
• 英文别名: Ethyl pentafluorophenyl carbonate；ethyl (2,3,4,5,6-pentafluorophenyl) carbonate
• CAS: 152685-14-8
• 化学式: C₉H₅F₅O₃
• 分子量: 256.129
• InChiKey: GPQORUBDFWKWOV-UHFFFAOYSA-N

物化性质

• 沸点：
  227.2±40.0 °C(Predicted)
• 密度：
  1.498±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  氯甲酸乙酯 、 五氟苯酚 生成 Carbonic acid ethyl ester pentafluorophenyl ester
  参考文献：
  名称：

  BRESLAV, M. S.;GALKIN, O. M.;KALEJ, U. O.;DAVIDOVICH, YU. A., HOB. METODY I REAGENTY V TONK. ORGAN. SINTEZE: 5 BCEC. SIMP. PO ORGAN. SI+

  摘要：

  DOI：

文献信息

• Reactivity and Product Selectivity of Fluoroalkyl Carbonates in Substitution Reactions with Primary Alcohols and Amines
  作者：Shuto Hatsumura、Yuka Hashimoto、Sasuga Hosokawa、Akihiro Nagao、Kazuo Eda、Hirofumi Harada、Kei Ishitsuka、Takashi Okazoe、Akihiko Tsuda

  DOI：10.1021/acs.joc.2c01180

  日期：2022.9.2

  the substitution reactions of a series of symmetric and unsymmetric fluoroalkyl carbonates with primary alcohols or amines. The reactivity of the haloalkyl carbonate depends mainly on the electrophilicity and steric crowdedness of the carbonyl group and the leaving ability of the haloalkyl alcohols. Diethyl carbonate as a reference substrate showed no reaction with the alcohol or amine. However, bis(2

  本研究报告了一系列对称和不对称氟代烷基碳酸酯与伯醇或胺的取代反应的系统研究。卤代烷基碳酸酯的反应活性主要取决于羰基的亲电性和空间拥挤度以及卤代烷基醇的离去能力。作为参考底物的碳酸二乙酯显示不与醇或胺反应。然而，具有吸电子三氟乙基基团的碳酸双(2,2,2-三氟乙基)酯[(F 3 -EtO) 2 CO]能够进行取代反应，与碳酸二苯酯[(PhO) 2 CO]的反应活性相对较高。此外，(F 6 - i PrO) 2带有两组六氟异丙基基团的 CO 显示出反应的显着加速，其中观察到的反应性与碳酸双（全氟苯）酯 [(F 5 -PhO) 2 CO] 的反应性相似。发现在一系列卤代烷基碳酸酯中羰基的亲电性和醇的离去能力与其羰基在红外光谱中的波数和p K a相关。分别用于消除的醇。由于消除的氟烷基醇与有机产物的亲合力较弱，并且由于氟烷基的特性而具有较低的沸点，因此可以通过在 100 °C 以下或不减压下简单蒸发将它们从产物中轻松去除。
• NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME
  申请人：Ube Industries, Ltd.

  公开号：EP1672729A1

  公开（公告）日：2006-06-21

  The present invention provides a lithium secondary battery which is improved particularly in cycle characteristics. Disclosed is a lithium secondary battery which uses a non-aqueous electrolytic solution obtained by dissolving electrolyte salt in a non-aqueous solvent. The non-aqueous electrolytic solution further contains a pentafluorophenyloxy compound represented by the formula (I), and vinylene carbonate and/or 1,3-propanesultone. In the formula (I), R1 is a substituent selected from the group consisting of an alkylcarbonyl group having 2 to 12 carbon atoms, an alkoxycarbonyl group having 2 to 12 carbon atoms, an aryloxycarbonyl group having 7 to 18 carbon atoms, and an alkanesulfonyl group having 1 to 12 carbon atoms. At least one hydrogen atom of the substituent can be substituted with a halogen atom or an aryl group having 6 to 18 carbon atoms.

  本发明提供了一种锂二次电池，该电池尤其在循环特性方面有所改进。本发明公开了一种锂二次电池，它使用的非水电解溶液是通过将电解质盐溶解在非水溶剂中获得的。该非水电解溶液还含有由式（I）表示的五氟苯氧基化合物、碳酸乙烯酯和/或 1,3-丙磺酸酮。 在式 (I) 中，R1 是一个取代基，选自具有 2 至 12 个碳原子的烷基羰基、具有 2 至 12 个碳原子的烷氧基羰基、具有 7 至 18 个碳原子的芳氧基羰基和具有 1 至 12 个碳原子的烷磺酰基组成的组。取代基中的至少一个氢原子可被卤素原子或具有 6 至 18 个碳原子的芳基取代。
• [EN] PYRIMIDO DERIVATIVE AND APPLICATION THEREOF IN MEDICINE<br/>[FR] DÉRIVÉ DE PYRIMIDO ET SON APPLICATION EN MÉDECINE<br/>[ZH] 一种嘧啶并环衍生物及其在医药上的应用
  申请人：SICHUAN HAISCO PHARMACEUTICAL CO LTD

  公开号：WO2021093758A1

  公开（公告）日：2021-05-20

  通式(I)所述的化合物或者其立体异构体、氘代物、溶剂化物、前药、代谢产物、共晶或药学上可接受的盐，所述化合物的中间体和制备方法，以及在制备预防或治疗与KRAS G12C活性或表达量相关疾病的药物中的应用。
• Concerted Mechanisms of the Reactions of Ethyl <i>S</i>-Aryl Thiocarbonates with Substituted Phenoxide Ions
  作者：Enrique A. Castro、Paulina Pavez、José G. Santos

  DOI：10.1021/jo981956j

  日期：1999.4.1

  The reactions of 4-nitrophenyl, 2,4-dinitrophenyl, and 2,4,6-trinitrophenyl O-ethyl thiolcarbonates with substituted phenoxide ions are subjected to a kinetic study in water, 25.0 degrees C, ionic strength 0.2 M (KCl). By following the reactions spectrophotometrically, pseudo-first-order rate coefficients (k(obsd)) are found under excess of the nucleophile. Plots of k(obsd) VS phenoxide anion concentration at constant pH are linear, with the slope (k(N)) independent of pH. The Bronsted-type plots (log kN vs pK(a) of the phenols) are linear with slopes beta = 0.92, 0.77, and 0.61 for the reactions of the 4-nitrophenyl, 2,4-dinitrophenyl, and 2,4,6-trinitrophenyl derivatives, respectively. For these reactions, a concerted mechanism is proposed since the slope values are similar to those found in the concerted phenolysis of aryl acetates; the slope magnitudes are not consistent with a stepwise mechanism where the formation of a tetrahedral intermediate is rate limiting. Our results are in line with the finding that the reactions of the 2,4-dinitrophenyl and 2,4,6-trinitrophenyl derivatives with secondary alicyclic amines in water are concerted. In contrast, the reactions of the same substrates with pyridines are stepwise, which means that substitution of a pyridine moiety in a tetrahedral intermediate with a benzenethio group by a phenoxy group destabilizes the intermediate.
• BRESLAV, M. S.;GALKIN, O. M.;KALEJ, U. O.;DAVIDOVICH, YU. A., HOB. METODY I REAGENTY V TONK. ORGAN. SINTEZE: 5 BCEC. SIMP. PO ORGAN. SI+
  作者：BRESLAV, M. S.、GALKIN, O. M.、KALEJ, U. O.、DAVIDOVICH, YU. A.

  DOI：——

  日期：——