环戊二烯羧酸 | 45520-93-2

• 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: 环戊二烯羧酸
• 英文名称: Cyclopentadienecarboxylic acid
• 英文别名: HCpCOOH；Cyclopentadiencabonsaeure；2,4-Cyclopentadiene-1-carboxylic acid；cyclopenta-2,4-diene-1-carboxylic acid
• CAS: 45520-93-2
• 化学式: C₆H₆O₂
• mdl: MFCD19229119
• 分子量: 110.112
• InChiKey: XOQAUJORGNJWEX-UHFFFAOYSA-N

物化性质

• 沸点：
  236.7±9.0 °C(Predicted)
• 密度：
  1.257±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  十羰基二铼 、 环戊二烯羧酸 以 均三甲苯 为溶剂， 以95%的产率得到tricarbonyl(cyclopentadienyl carboxylic acid)rhenium(I)
  参考文献：
  名称：

  新型环戊二烯基三羰基99 m Tc配合物包含1-Piperonylpiperazine部分：Sigma-1受体的潜在成像探针。

  摘要：

  我们报告的设计，合成，以及一系列新颖环戊二烯三羰基的评价99米锝配合物作为有力的σ 1受体的放射性。compounds化合物3-（4-（1,3-苯并二恶唑-5-基甲基）哌嗪-1-基）丙基羰基环戊二烯基三羰基en（10a）和4-（4-（1,3-苯并二恶唑-5-基甲基）哌嗪-1基）三羰基butylcarbonylcyclopentadienyl铼（10B）在体外亲和力具有较高的对σ 1受体和中度到高选择性σ 2受体和囊泡乙酰胆碱转运。小鼠的生物分布研究表明，相应的99m Tc衍生物[ 99m Tc注射后2分钟，Tc] 23和[ 99m Tc] 24分别为2.94和2.13％注射剂量（ID）/ g。氟哌啶醇的预处理显着降低了脑中[ 99m Tc] 23或[ 99m Tc] 24的放射性示踪剂蓄积。对C6和DU145肿瘤细胞中[ 99m Tc] 23的细胞吸收研究表明，与氟哌啶醇，1-（3,4-二

  DOI：

  10.1021/jm5009488
• 作为产物：
  描述：

  二氧化碳 、 lithium cyclopentadienide 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 以14%的产率得到环戊二烯羧酸
  参考文献：
  名称：

  新型环戊二烯基三羰基99 m Tc配合物包含1-Piperonylpiperazine部分：Sigma-1受体的潜在成像探针。

  摘要：

  我们报告的设计，合成，以及一系列新颖环戊二烯三羰基的评价99米锝配合物作为有力的σ 1受体的放射性。compounds化合物3-（4-（1,3-苯并二恶唑-5-基甲基）哌嗪-1-基）丙基羰基环戊二烯基三羰基en（10a）和4-（4-（1,3-苯并二恶唑-5-基甲基）哌嗪-1基）三羰基butylcarbonylcyclopentadienyl铼（10B）在体外亲和力具有较高的对σ 1受体和中度到高选择性σ 2受体和囊泡乙酰胆碱转运。小鼠的生物分布研究表明，相应的99m Tc衍生物[ 99m Tc注射后2分钟，Tc] 23和[ 99m Tc] 24分别为2.94和2.13％注射剂量（ID）/ g。氟哌啶醇的预处理显着降低了脑中[ 99m Tc] 23或[ 99m Tc] 24的放射性示踪剂蓄积。对C6和DU145肿瘤细胞中[ 99m Tc] 23的细胞吸收研究表明，与氟哌啶醇，1-（3,4-二

  DOI：

  10.1021/jm5009488

文献信息

• Metal-Mediated Retro Diels−Alder of Dicyclopentadiene Derivatives:  A Convenient Synthesis of [(Cp-R)M(CO)₃] (M = ^99mTc, Re) Complexes
  作者：Yu Liu、Bernhard Spingler、Paul Schmutz、Roger Alberto

  DOI：10.1021/ja077741l

  日期：2008.2.6

  The synthesis of piano-stool type complexes [(Cp-R)99mTc(CO)3] from water and, if possible, directly from [99mTcO4]- is a persisting challenge. Such complexes are very convenient for labeling biomolecules since they are small in size and “innocent” with respect to noncovalent interactions in biological systems. We found that [(Cp-R)99mTc(CO)3] can be prepared directly from the dimerized Diels−Alder

  从水中合成钢琴凳型复合物 [(Cp-R)99mTc(CO)3]，如果可能的话，直接从 [99mTcO4]-合成是一个持久的挑战。这种复合物非常便于标记生物分子，因为它们体积小，并且在生物系统中的非共价相互作用方面“无害”。我们发现 [(Cp-R)99mTc(CO)3] 可以直接从二聚 Diels-Alder 前体和 [99mTcO4]- 制备。由于反应溶液中各个单体的浓度无法检测到，[(Cp-R)99mTc(CO)3] 的形成必须基于金属介导的逆狄尔斯-阿尔德反应与协调的 Cp 配位。所形成的 99mTc 复合物的真实性通过将它们的 HPLC 保留时间与结构表征的铼替代物的保留时间进行比较来确认。
• ORGANOMETALLIC N-2-CYANO-1-HYDROXYPROPAN-2-YL FOR USE AS ANTHELMINTICS
  申请人：UNIVERSITÄT ZÜRICH

  公开号：US20160207950A1

  公开（公告）日：2016-07-21

  The invention relates to a compound characterized by a general formula, wherein OM is an organometallic compound independently selected from the group of an unsubstituted or substituted metal sandwich compound, an unsubstituted or substituted half metal sandwich compound or a metal carbonyl compound, wherein Z is a group described by a general formula wherein with i being or, is a -alkyl with r being or, is a alkyl with t being or, and wherein each R X1 independently from any other is or, and wherein n of and with each independently from any other being hydrogen or an unsubstituted or substituted alkyl and their use in a method for treatment of infections by helminths.

  本发明涉及一种化合物，其特征为具有下列通式： 其中OM是从未取代或取代的金属三明治化合物、未取代或取代的半金属三明治化合物或金属羰基化合物组成的有机金属化合物，其中Z是由下列通式描述的基团： 其中i为或，是-烷基，r为或，是烷基，t为或，是烷基，每个RX1独立于其他任何物质，是或，n为或，每个独立于其他的是氢或未取代或取代的烷基。本发明还涉及其在治疗蠕虫感染的方法中的使用。
• Peptide carbocyclic derivatives as inhibitors of the viroporin function of RNA-containing viruses
  作者：V. A. Shibnev、P. G. Deryabin、T. M. Garaev、M. P. Finogenova、A. G. Botikov、D. V. Mishin

  DOI：10.1134/s1068162017050132

  日期：2017.9

  New carbocyclic derivatives of amino acids, peptides, and other compounds have been synthesized, and their antiviral activity toward the influenza A/H5N1 and hepatitis C viruses has been studied in vitro. It has been shown that the aminoacyl derivatives of aminoadamantane are capable of inhibiting the replication of the highly virulent strain of the avian influenza virus (H5N1), which is resistant to aminoadamantanes amantadine and rimantadine. The effect of the configuration of the carbocyclic moiety of the dipeptide H-Pro-Trp-OH on the antiviral properties toward the hepatitis C virus has been studied. The cyclohexyloxycarbonyl derivative of the H-Pro-Trp-OH dipeptide strongly inhibited the replication of HCV in vitro. Some compounds have been found to exhibit a high virucidal activity toward influenza A/H5N1 and HCV virions.
• Photolysis of 2-Chlorophenol Dissolved in Surfactant Solutions
  作者：Zhou Shi、Michael E. Sigman、Mriganka M. Ghosh、Reza Dabestani

  DOI：10.1021/es9703279

  日期：1997.12.1

  The photochemical degradation and dechlorination of 2-chlorophenol (2CP) (0.1 g/L) dissolved in surfactant solutions has been studied. The initial degradation and dechlorination of 2CP followed apparent first-order kinetics in nearly all the test solutions. The quantum yields of 2CP degradation and dechlorination were enhanced in th a presence of nonionic surfactant Brij 35 and anionic surfactant sodium dodecyl sulfate (SDS). A larger enhancement was observed at surfactant concentrations greater than the critical micelle concentration (cmc) and was attributed to partitioning of 2CP into the micelles. Furthermore, the study of 2CP photolysis in hexane, methanol, and dimethoxyethane suggested that the surfactant can serve as a hydrogen atom source in promoting 2CP degradation. Two 2CP phototransformation pathways in surfactant solutions were identified. The electronically excited anionic form of 2CP led to cyclopentadienecarboxylic acid formation through a ring contraction via the Wolff rearrangement. Electronic excitation of the undissociated form of 2CP led to the formation of catechol via a nucleophilic displacement of chloride in the presence of water. Phenol also observed as a photoproduct in non-nucleophilic solvents that can act as hydrogen atom donors. Phenol was also demonstrated to sensitize the 2CP transformation to phenol in micellar media.
• CARBOXYLIC ACID ESTER PRODUCTION METHOD
  申请人：Mitsubishi Chemical Corporation

  公开号：EP3235801B1

  公开（公告）日：2019-02-20