4-氰基-1,3-苯二甲酸二甲酯 | 412031-32-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氰基-1,3-苯二甲酸二甲酯
• 英文名称: 4-cyanoisophthalic acid dimethyl ester
• 英文别名: dimethyl 4-cyano-1,3-benzenedicarboxylate；dimethyl 4-cyanobenzene-1,3-dicarboxylate
• CAS: 412031-32-4
• 化学式: C₁₁H₉NO₄
• 分子量: 219.197
• InChiKey: KQUBERVRHAWWQG-UHFFFAOYSA-N

物化性质

• 沸点：
  371.8±32.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-氰基-1,3-苯二甲酸二甲酯 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以94%的产率得到[4-(aminomethyl)benzene-1,3-diyl]dimethanol
  参考文献：
  名称：

  WO2006/67462

  摘要：

  公开号：
• 作为产物：
  描述：

  methyl 8-chloro-8-cyano-3-oxo-2-oxabicyclo<2.2.2>oct-5-ene-6-carboxylate 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以62%的产率得到4-氰基-1,3-苯二甲酸二甲酯
  参考文献：
  名称：

  Shimo, Tetsuro; Yamasaki, Shinichi; Date, Kenichi, Journal of Heterocyclic Chemistry, 1993, vol. 30, # 2, p. 419 - 423

  摘要：

  DOI：

文献信息

• Fluorescent nucleobase conjugates having anionic linkers
  申请人：PE Corporation (NY)

  公开号：US20020102590A1

  公开（公告）日：2002-08-01

  Provided are nucleotide-dye conjugates and related compounds in which a dye is linked to a nucleobase directly or indirectly by an anionic linker. The anionic character of the linker is provided by one or more anionic moieties which are present in the linker, such as phosphate, phosphonate, sulfonate, and carboxylate groups. When the dye is a provided as a donor/acceptor dye pair, the anionic linker can be located between the donor and the acceptor, or between the nucleobase and either the donor or acceptor, or both. In one embodiment, conjugates of the invention provide enhanced electrophoretic mobility characteristics to sequencing fragments, e.g., for dideoxy sequencing using labeled terminators.

  提供了核苷酸染料共轭物和相关化合物，其中染料通过阴离子连接物直接或间接地与核碱基相连。连接物的阴离子性质由连接物中存在的一个或多个阴离子基团提供，例如磷酸酯基、膦酸酯基、磺酸基和羧酸基。当染料作为给体/受体染料对提供时，阴离子连接物可以位于给体和受体之间，或者位于核碱基和给体或受体之间，或两者之间。在一种实施方案中，本发明的共轭物提供了增强的电泳迁移特性，例如，用标记终止子进行二氧基测序的测序片段。
• 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis
  申请人：Leach Colin Andrew

  公开号：US20080242666A1

  公开（公告）日：2008-10-02

  The present invention relates to Compound S of Formula (I).

  本发明涉及化合物S，其化学式为（I）。
• Fluorescent Nucleobase Conjugates Having Anionic Linkers
  申请人：TAING Meng

  公开号：US20090092986A1

  公开（公告）日：2009-04-09

  Provided are nucleotide-dye conjugates and related compounds in which a dye is linked to a nucleobase directly or indirectly by an anionic linker. The anionic character of the linker is provided by one or more anionic moieties which are present in the linker, such as phosphate, phosphonate, sulfonate, and carboxylate groups. When the dye is a provided as a donor/acceptor dye pair, the anionic linker can be located between the donor and the acceptor, or between the nucleobase and either the donor or acceptor, or both. In one embodiment, conjugates of the invention provide enhanced electrophoretic mobility characteristics to sequencing fragments, e.g., for dideoxy sequencing using labeled terminators.

  提供了核苷酸染料共轭物和相关化合物，其中染料通过阴离子连接基团直接或间接地与核碱基相连。连接基团的阴离子特性由存在于连接基团中的一个或多个阴离子基团提供，例如磷酸酯、膦酸酯、磺酸盐和羧酸盐基团。当染料作为给体/受体染料对提供时，阴离子连接基团可以位于给体和受体之间，或位于核碱基和给体或受体之间，或两者之间。在一种实施例中，本发明的共轭物提供了增强的电泳迁移特性，例如用标记的终止子进行二硫代氧核苷酸测序。
• FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS
  申请人：Taing Meng

  公开号：US20100304381A1

  公开（公告）日：2010-12-02

  Provided are nucleotide-dye conjugates and related compounds in which a dye is linked to a nucleobase directly or indirectly by an anionic linker. The anionic character of the linker is provided by one or more anionic moieties which are present in the linker, such as phosphate, phosphonate, sulfonate, and carboxylate groups. When the dye is a provided as a donor/acceptor dye pair, the anionic linker can be located between the donor and the acceptor, or between the nucleobase and either the donor or acceptor, or both. In one embodiment, conjugates of the invention provide enhanced electrophoretic mobility characteristics to sequencing fragments, e.g., for dideoxy sequencing using labeled terminators.

  提供的是核苷酸染料共轭物和相关化合物，其中染料通过阴离子连接剂直接或间接地与核碱基相连。连接剂的阴离子特性由连接剂中存在的一个或多个阴离子基团提供，例如磷酸盐、膦酸盐、磺酸盐和羧酸盐基团。当染料作为给体/受体染料对提供时，阴离子连接剂可以位于给体和受体之间，或位于核碱基和给体或受体之间，或两者之间。在一种实施例中，本发明的共轭物提供了增强的电泳迁移特性，例如使用标记终止子进行二苯基测序的测序片段。
• 1,6-SUBSTITUTED (3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1831183A1

  公开（公告）日：2007-09-12