cis-2-methylcyclopentanecarboxylic acid

• 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: cis-2-methylcyclopentanecarboxylic acid
• 英文别名: (1S,2R)-2-methylcyclopentane-1-carboxylic acid
• 化学式: C₇H₁₂O₂
• 分子量: 128.171
• InChiKey: YDUMDNFZGQAOJB-RITPCOANSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基环己酮 在 thallium(III) nitrate 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以36%的产率得到cis-2-methylcyclopentanecarboxylic acid
  参考文献：
  名称：

  Thallium trinitrate mediated ring contraction of monocyclic ketones: Stereochemical aspects

  摘要：

  The reaction of 3- and 4-alkylcyclohexanones with thallium trinitrate (TTN) leads to the alkylcyclopentanecarboxylic acids in good yields and with high degree of stereoselectivity. The ring contraction of 2-methylcyclohexanone gives poor yields and 2,6-dimethylcyclohexanone does not undergo contraction. The observed diastereoselectivities of the reactions agree with the mechanism proposed by McKillop et al. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00246-3

文献信息

• INHIBITORS OF INFLUENZA VIRUSES REPLICATION
  申请人：Charifson Paul S.

  公开号：US20120171245A1

  公开（公告）日：2012-07-05

  Methods of inhibiting the replication of influenza viruses in a biological sample or patient, of reducing the amount of influenza viruses in a biological sample or patient, and of treating influenza in a patient, comprises administering to said biological sample or patient an effective amount of a compound represented by Structural Formula (I): or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (IA) are as described herein. A compound is represented by Structural Formula (IA) or a pharmaceutically acceptable salt thereof, wherein the values of Structural Formula (IA) are as described herein. A pharmaceutical composition comprises an effective amount of such a compound or pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, adjuvant or vehicle.

  抑制生物样本或患者中流感病毒的复制、减少生物样本或患者中流感病毒量以及治疗患者流感的方法，包括向所述生物样本或患者施用有效量的由结构公式（I）表示的化合物： 或其药用可接受盐，其中结构公式（IA）的值如本文所述。由结构公式（IA）或其药用可接受盐表示的化合物，其中结构公式（IA）的值如本文所述。药物组合物包括有效量的上述化合物或其药用可接受盐，以及药用可接受载体、佐剂或车辆。
• HETEROCYCLIC CETP INHIBITORS
  申请人：Salvati E. Mark

  公开号：US20070161685A1

  公开（公告）日：2007-07-12

  Compounds of formula Ia and Ib wherein A, B, C and R 1 are described herein.

  式Ia和Ib的化合物 其中A、B、C和R1 如本文所述。
• Durch (Lig)Ni(0) induzierte Herstellung von mono- und di-Carbonsäuren aus Cyclopenten und Kohlendioxid
  作者：Heinz Hoberg、Alfredo Ballesteros、Andrei Sigan、Corine Jegat、Armin Milchereit

  DOI：10.1055/s-1991-26475

  日期：——

  (Lig)Ni(0) Induced Preparation of Mono- and Dicarboxylic Acids from Cyclopentene and Carbon Dioxide Cyclopentene is shown to be an ideal substrate for coupling reactions with (Lig)nickel(0) systems. By variation of the ligands and addition of promotors, it is possible by successive application of carbon dioxide or carbon monoxide to prepare highly selectively series of cyclopentane- and cyclopentenecarboxylic acids (six examples), 4, 5, 6, 11, 14, 15, cyclopentanedicarboxylic acids (three examples), 7, 8,12, or 2-hydroxycyclopentanecarboxylic acid (9) in good yields. The C5-skeleton is retained in the products.

  (配体)镍(0)诱导环戊烯和二氧化碳制备单羧酸和二羧酸 研究表明，环戊烯是(配体)镍(0)系统偶联反应的理想底物。通过改变配体和添加促进剂，可以连续使用二氧化碳或一氧化碳，以良好的收率制备出高选择性的环戊烷和环戊烷羧酸系列（六个实例）、4、5、6、11、14、15、环戊烷二羧酸（三个实例）、7、8、12 或 2-羟基环戊烷羧酸（9）。产物中保留了 C5 骨架。
• [EN] NOVEL TRICYCLIC COMPOUNDS<br/>[FR] COMPOSÉS TRICYCLIQUES INNOVANTS
  申请人：ABBOTT LAB

  公开号：WO2011068881A1

  公开（公告）日：2011-06-09

  The invention provides compounds of Formula (I) and Formula (II), pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variable are defined herein. The compounds of the invention are useful for treating immunological and oncological conditions.

  该发明提供了Formula (I)和Formula (II)的化合物，以及在此定义的变量的药用可接受盐、前药、生物活性代谢物、立体异构体和同分异构体。该发明的化合物对于治疗免疫和肿瘤疾病是有用的。
• Stereochemistry of the thermal isomerizations of (1R,2R)-1-[(E)-styryl]-2-methylcyclopropane to 3-phenyl-4-methylcyclopentenes
  作者：John E. Baldwin、Samuel Bonacorsi

  DOI：10.1021/ja00076a021

  日期：1993.11

  (1R,2R)-1-((E)-Styryl)-2-methylcyclopropane at 250 o C racemizes and isomerizes to 6-phenylhexa-1,4-(Z)-diene and to the four isomers of 3-phenyl-4-methylcyclopentene. From the measured rate constants for racemization and for structural isomerizations, and from information on the relative amounts of the four 3-phenyl-4-methylcyclopentenes as a function of time, the relative contributions of the four

  (1R,2R)-1-((E)-Styryl)-2-methylcyclopropane 在 250 o C 外消旋并异构化为 6-苯基六-1,4-(Z)-二烯和 3-苯基-的四种异构体4-甲基环戊烯。从外消旋化和结构异构化的测量速率常数，以及四种 3-苯基-4-甲基环戊烯的相对量随时间变化的信息，四种立体化学不同路径对这种乙烯基环丙烷重排的相对贡献是发现为 60% si、10% ar、19% sr 和 11% ai