3-(4-羧基苯基)悉尼酮 | 7614-53-1

• 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: 3-(4-羧基苯基)悉尼酮
• 英文名称: Sydnone, 3-(p-carboxyphenyl)-
• 英文别名: 4-(5-oxo-2H-oxadiazol-3-ium-3-yl)benzoate
• CAS: 7614-53-1
• 化学式: C9H6N2O4
• 分子量: 206.15
• InChiKey: HLNFBKDFNKWLSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  81.5
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• SYDNONE DERIVATIVES FOR CONJUGATION OF COMPOUNDS OF INTEREST
  申请人：UNIVERSITE DE STRASBOURG

  公开号：US20170081300A1

  公开（公告）日：2017-03-23

  The present invention relates to a process for the preparation of a first compound of interest C1 functionalized with a sydnone compound and to the corresponding functionalized C1 compound of interest. The present invention also relates to a process for the preparation of a conjugate of two compounds of interest C1 and C2 implying a sydnone compound and to the obtained conjugate. The present invention also relates to a process for preparing a compound of interest C2 comprising a strained alkyne moiety functionalized with a sydnone and to the corresponding functionalized compound of interest C2. It also relates to novel sydnone compounds substituted in position 4, which may be used in the above processes.

  本发明涉及一种用于制备与sydnone化合物功能化的感兴趣化合物C1的过程，以及所述功能化的感兴趣化合物C1。本发明还涉及一种制备涉及sydnone化合物的两种感兴趣化合物C1和C2的共轭物的过程，以及所获得的共轭物。本发明还涉及一种制备涉及带有sydnone功能化的受紧张炔基团的感兴趣化合物C2的过程，以及所述功能化的感兴趣化合物C2。此外，本发明还涉及在4位取代的新型sydnone化合物，可用于上述过程中。
• METHOD FOR PRODUCING PYRAZOLES, NOVEL PYRAZOLES AND APPLICATIONS THEREOF
  申请人：COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES

  公开号：US20150368295A1

  公开（公告）日：2015-12-24

  A method for preparing a pyrazole of formula (I) in which R,R′ and R″ have different meanings, characterised in that it involves reacting a sydnone of formula (II) in which R and R′ have the meanings already indicated, with an alkyne of formula (III) in which R″ has the meaning already indicated, in the presence of copper, to obtain a pyrazole compound of formula (I) that is then isolated and salified if desired.

  一种制备式（I）的吡唑的方法，其中R、R′和R″具有不同的含义，其特征在于它涉及将式（II）的噻唑啉（其中R和R′已经指示了含义）与式（III）的炔烃（其中R″已经指示了含义）在铜的存在下反应，以获得式（I）的吡唑化合物，然后如有需要进行分离和盐化。
• Sydnone derivatives for conjugation of compounds of interest
  申请人：Université de Strasbourg

  公开号：EP2944325A1

  公开（公告）日：2015-11-18

  The present invention relates to sydnone compounds substituted in position 4, to a process for the preparation of a first compound of interest C1 functionalized with a sydnone compound of the invention and to the corresponding functionalized C1 compound of interest. The present invention also relates to a process for the preparation of a conjugate of two compounds of interest C1 and C2 implying a sydnone compound according to the invention, and to the obtained conjugate. The present invention also relates to a process for preparing a compound of interest C2 comprising a strained alkyne moiety functionalized with a sydnone according to the invention and to the corresponding functionalized compound of interest C2.

  本发明涉及在第 4 位被取代的茚酮化合物，涉及用本发明的茚酮化合物官能化的第 一种相关化合物 C1 的制备工艺，以及相应的官能化的相关 C1 化合物。本发明还涉及一种根据本发明制备含有昔多酮化合物的两种相关化合物 C1 和 C2 的共轭物的工艺，以及所获得的共轭物。本发明还涉及一种根据本发明制备包含与涕酮官能化的受约束炔基的相关化合物 C2 的工艺，以及相应的官能化的相关化合物 C2。
• PROCEDE DE FABRICATION DE PYRAZOLES, DERIVES DE TYPE PYRAZOLE ET LEURS APPLICATIONS
  申请人：Commissariat à l'Énergie Atomique et aux Énergies Alternatives

  公开号：EP2953935A2

  公开（公告）日：2015-12-16
• US7745665B2
  申请人：——

  公开号：US7745665B2

  公开（公告）日：2010-06-29