cyclohexaneacetic acid phenyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: cyclohexaneacetic acid phenyl ester
• 英文别名: phenyl 2-cyclohexylacetate；Phenyl-cyclohexylacetat
• 化学式: C₁₄H₁₈O₂
• 分子量: 218.296
• InChiKey: CNELKUBWTIYDJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  cyclohexaneacetic acid phenyl ester 、 碘乙烷 在 六甲基磷酰三胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 以30%的产率得到α-ethylcyclohexaneacetic acid phenyl ester
  参考文献：
  名称：

  Enantioselective synthesis of allenecarboxylates from phenyl acetates through CC bond forming reactions

  摘要：

  A variety of optically active 4,4-disubstituted allenecarboxylic acid methyl esters were prepared from simple alpha,alpha -disubstituted phenyl acetate through base treatment of the esters to generate ketenes, followed by successive Horner-Wadsworth-Emmons reaction. The transformation was further developed as a one-pot procedure with satisfactory yields and high enantioselectivity. (C) 2001 EIsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00114-8
• 作为产物：
  描述：

  环己基乙酸 、 苯酚 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到cyclohexaneacetic acid phenyl ester
  参考文献：
  名称：

  Enantioselective synthesis of allenecarboxylates from phenyl acetates through CC bond forming reactions

  摘要：

  A variety of optically active 4,4-disubstituted allenecarboxylic acid methyl esters were prepared from simple alpha,alpha -disubstituted phenyl acetate through base treatment of the esters to generate ketenes, followed by successive Horner-Wadsworth-Emmons reaction. The transformation was further developed as a one-pot procedure with satisfactory yields and high enantioselectivity. (C) 2001 EIsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(01)00114-8

文献信息

• Antithrombotic compositions containing benzisothiazolones
  申请人：BEECHAM GROUP PLC

  公开号：EP0001503A1

  公开（公告）日：1979-04-18

  This invention relates to a pharmaceutical composition useful in the treatment of arterial thrombosis. A combination of a non-steroidal anti-inflammatory agent with a benzisothiazolone of formula (I) is found to be capable of inhibiting the aggregation of blood platelets to a greater degree than each of the components separately. R1 and R2 represent a variety of substituent groups; X represents a bond or an alkylene chain; and R represents a heterocyclic group. When the anti-inflammatory agent contains a carboxylic acid group, the combination with compound (I) may be in the form of a salt.

  本发明涉及一种用于治疗动脉血栓的药物组合物。研究发现，一种非甾体抗炎剂与一种式（I）的苯并异噻唑啉酮的组合物对血小板聚集的抑制作用比每种成分单独使用时更强。 R1 和 R2 代表各种取代基；X 代表键或亚烷基链；R 代表杂环基。 当消炎剂含有羧酸基团时，与化合物(I)的组合可以是盐的形式。
• Liquidcrystalline cyclohexylbenzene derivatives their manufacturing and novel nematic admixtures containing same
  申请人：Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego

  公开号：EP0272580A2

  公开（公告）日：1988-06-29

  New compounds of the general formula I: wherein R¹ is a normal or branched alkyl chain H2n+1Cn- or a normal or branched alkoxy group H2n+1CnO-, n being an integer number from 1 to 12; X is a bridging group from the set: -COO-, -OCO-, -CH₂O-, -OCH₂-, -COCH₂-, -CHOHCH₂-, -CH=CH-,-CH₂CH₂-, -CHClCH₂-, -CHCNCH₂-, -CHBrCH₂-, -CHFCH₂-, -CHOCH₃CH₂-; Y is a terminal group from the set: -NO₂, -NH₂, -NCS, -Cl, -Br, -F; the cyclohexane rings are trans-1,4-disubstituted ones and the benzene rings are 1,4-disubstituted ones, and besides one of them may contain sometimes additionally a fluorine atom in position 2 or 3, k and l are integer numbers from the set: 0, 1, 2 fulfilling the condition that k+1=2 or 3; besides, if X denotes the -COO- or -OCO- group, then k+1 also may assume the value of 1 , their manufacture and liquid crystalline admixture containing them and use for electro-optical devices as dielectrics are described.

  通式 I 的新化合物 其中 R¹ 是正链或支链烷基 H2n+1Cn- 或正链或支链烷氧基 H2n+1CnO-，n 是 1 至 12 之间的整数；X 是来自以下集合的桥基：-COO-、-OCO-、-CH₂O-、-OCH₂-、-COCH₂-、-CHOHCH₂-、-CH=CH-、-CH₂CH₂-、-CHClCH₂-、-CHCNCH₂-、-CHBrCH₂-、-CHFCH₂-、-CHOCH₃CH₂-；Y 是一组中的末端基团：-环己烷环是反式-1,4-二取代环，苯环是 1,4-二取代环，此外，其中一个环有时还可能在第 2 位或第 3 位含有一个氟原子，k 和 l 是一组中的整数：此外，如果 X 表示-COO-或-OCO-基团，则 k+1 的值也可以是 1。
• Visible Light-Induced One-Pot Carbonylation of Alkyl Halides with Aryl Formates
  作者：Padon Chuentragool、Aurapat Ngamnithiporn、Prachnawadee Hongboon、Somsak Ruchirawat

  DOI：10.1021/acs.joc.3c02763

  日期：2024.3.15

  Described herein is the development of a visible-light-driven carbonylation of alkyl halides. The exploitation of visible light to activate Pd complexes and the use of formates to serve the dual role of a CO surrogate and a phenoxide source allow the preparation of esters in moderate to good yields. Its relatively mild reaction conditions and the ability to perform this transformation without direct

  本文描述了可见光驱动的卤代烷羰基化的发展。利用可见光激活 Pd 配合物，并使用甲酸盐发挥 CO 替代物和酚盐源的双重作用，可以以中等至良好的产率制备酯。其相对温和的反应条件以及无需直接处理有毒CO气体即可进行这种转化的能力，为从烷基卤化物中获取酯提供了一种实用的方法。
• <scp>Pd‐Catalyzed</scp> Highly Regioselective Hydroesterification of Terminal Alkyl Olefins with Formates
  作者：Junhua Li、Tianci Shen、Yan Yang、Yian Shi

  DOI：10.1002/cjoc.202300691

  日期：——

  A Pd-catalyzed regioselective hydroesterification of alkyl terminal olefins with aryl formates is described. A wide variety of linear carboxylic esters bearing various functional groups can be obtained in good yields with high regioselectivities under mild reaction conditions by using 1,2-DTBPMB or (p-F-Ph)3P as ligand. The reaction process is operationally simple and requires no handling of toxic

  描述了烷基末端烯烃与甲酸芳基酯的 Pd 催化区域选择性加氢酯化反应。以1,2-DTBPMB或( p -F-Ph) 3 P为配体，在温和的反应条件下，可以高产率、高区域选择性地获得多种带有各种官能团的直链羧酸酯。该反应过程操作简单，不需要处理有毒的CO或强酸。所得芳基酯可以容易地转化为其他羧酸衍生物。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cr: Org.Verb., 1.1.2.2.4, page 100 - 103
  作者：

  DOI：——

  日期：——