4,5-dichloro-furan-2-carboxylic acid | 6504-32-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 4,5-dichloro-furan-2-carboxylic acid
• 英文别名: 4,5-Dichlor-furan-2-carbonsaeure；4,5-dichlorofuran-2-carboxylic acid
• CAS: 6504-32-1
• 化学式: C₅H₂Cl₂O₃
• 分子量: 180.975
• InChiKey: VTLYSVKHSBKBNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5-dichloro-furan-2-carboxylic acid 在 Pd-BaSO₄ 、 氯化亚砜 、 xylene 、 苯 作用下， 生成 4,5-dichloro-furan-2-carbaldehyde
  参考文献：
  名称：

  Okuzumi, Nippon Kagaku Zasshi, 1958, vol. 79, p. 1366,1369

  摘要：

  DOI：
• 作为产物：
  描述：

  ethyl 5-chloro-2-fuorate 、 氯 生成 4,5-dichloro-furan-2-carboxylic acid
  参考文献：
  名称：

  Okzumi, 1958, vol. 79, p. 1366,1367, 1370

  摘要：

  DOI：

文献信息

• Utility of Complementary Molecular Reactivity and Molecular Recognition (CMR/R) Technology and Polymer-Supported Reagents in the Solution-Phase Synthesis of Heterocyclic Carboxamides
  作者：John J. Parlow、Deborah A. Mischke、Scott S. Woodard

  DOI：10.1021/jo970571i

  日期：1997.8.1

  The use of our recently reported chemical library purification strategy in the development of a herbicidal lead, N-(3-benzoylphenyl)-3-(1,1-dimethylethyl)-1-methyl-1H-pyrazole-5-carboxamide (3), is described. The approach applying fundamental properties of complementary molecular reactivity and molecular recognition (CMR/R) as the basis for a general purification strategy was utilized. Polymeric reagents were used in the synthesis to generate reactive species involved in product formation, and complementary molecular reactivity/molecular recognition polymer 8 (CMR/R polymer 8) was used in the solution-phase syntheses of building blocks, primary libraries, and lead refinement libraries. An extension of the CMR/R methodology was applied, utilizing a sequestration enabling reagent (SER), transforming a reactant into an electrophilic species sequestrable by CMR/R polymer 8. This library purification strategy enabled rapid lead generation and lead refinement to afford herbicide 27o. The CMR/R solid-phase purification technique enabled a simple, general, and powerful protocol, eliminating the usual tedious and time-consuming methods required for solution-phase product purification. The result was the synthesis of hundreds of compounds, prepared in a relatively short time, leading to a compound with a 4-fold improvement in herbicidal activity over the initial lead.
• Catlin, Iowa State College Journal of Science, 1935, vol. 10, p. 65
  作者：Catlin

  DOI：——

  日期：——
• METHODS TO TREAT DYSREGULATED BLOOD GLUCOSE DISORDERS
  申请人：REGENTS OF THE UNIVERSITY OF MINNESOTA

  公开号：US20150150836A1

  公开（公告）日：2015-06-04

  The invention provides methods and compositions for treating dysregulated blood glucose disorders.
• US9339482B2
  申请人：——

  公开号：US9339482B2

  公开（公告）日：2016-05-17
• US9468669B2
  申请人：——

  公开号：US9468669B2

  公开（公告）日：2016-10-18