chloromaleo(fumaro)nitrile | 26459-70-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: chloromaleo(fumaro)nitrile
• 英文别名: monochloromaleonitrile；1-chloro-1,2-dicyanoethylene；Monochlormaleo(fumaro)nitril；2-Chlorobut-2-enedinitrile
• CAS: 26459-70-1
• 化学式: C₄HClN₂
• 分子量: 112.518
• InChiKey: VXBAYIAWNLPBHU-UHFFFAOYSA-N

物化性质

• 沸点：
  110-120 °C(Press: 0.05 Torr)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  chloromaleo(fumaro)nitrile 在 氨 作用下， 生成 amino-maleonitrile 、 amino-fumaronitrile
  参考文献：
  名称：

  Mommaerts, Bulletin des Societes Chimiques Belges, 1943, vol. 52, p. 64,70,76

  摘要：

  DOI：
• 作为产物：
  描述：

  1,4-Bis-(difluoroamino)-2-chloro-2-butene 在 水 作用下， 生成 chloromaleo(fumaro)nitrile
  参考文献：
  名称：

  Interaction of tetrafluorohydrazine with 2-chlorobutadiene-1,3

  摘要：

  DOI：

  10.1007/bf00906533

文献信息

• [EN] PROCESS FOR THE PREPARATION OF PYRAZOLE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE PYRAZOLE
  申请人：BASF SE

  公开号：WO2010105969A1

  公开（公告）日：2010-09-23

  The present invention refers to a process for the preparation of pyrazole derivatives of formula (I), wherein W is nitrogen or CR1, R1, R2, R4 and R5 are each independently selected from hydrogen, halogen, C1-C6-alkyl, C1-C6-haloalkyl, C1-C6-alkoxy, C1-C6-haloalkoxy, R7S(O)n, nitro, cyano, and pentafluorothio; R3 is hydrogen, halogen, C1-C6-alkyl, C1-C6-haloalkyl, C1-C6-alkoxy, C1-C6-haloalkoxy, R7S(O)n, nitro, cyano, pentafluorothio or phenyl which is unsubstituted or substituted by 1 to 5 members of the group consisting of halogen, C1-C6-alkyl, C1-C6-haloalkyl, C1-C6-alkoxy, C1-C6-haloalkoxy, R7S(O)n, nitro, cyano, and pentafluorothio which are the same or different; R7 is C1-C6-alkyl or C1-C6-haloalkyl; and n is 0, 1, or 2; characterized in that hydrazines of formula (II) wherein W, R2, R3, R4, and R5 are as defined for pyrazole derivatives of formula (I), are reacted with a compound of formula (III).

  本发明涉及一种制备式(I)的吡唑衍生物的方法，其中W是氮或CR1，R1、R2、R4和R5各自独立地选自氢、卤素、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基、C1-C6卤代烷氧基、R7S（O）n、硝基、氰基和五氟硫代基；R3是氢、卤素、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基、C1-C6卤代烷氧基、R7S（O）n、硝基、氰基、五氟硫代基或苯基，该苯基未取代或被1至5个卤素、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基、C1-C6卤代烷氧基、R7S（O）n、硝基、氰基和五氟硫代基所取代，这些基团是相同的或不同的；R7是C1-C6烷基或C1-C6卤代烷基；n为0、1或2；其特征在于将式(II)的肼与式(III)的化合物反应，其中W、R2、R3、R4和R5如同式(I)所定义的吡唑衍生物。
• Synthesis and photodynamic activity of some tetraazoporphyrin derivatives
  作者：AR Morgan、NH Petousis、JE van Lier

  DOI：10.1016/s0223-5234(97)84358-9

  日期：1997.1

  Photodynamic therapy (PDT) is a treatment modality for a number of human neoplasms. The drug preparation most widely used in current clinical trials is photofrin. Photofrin lacks definite structure and as a result the interpretation of its pharmacokinetic data is difficult. Thus the development of new sensitizers of known structure such as the phthalocyanines and naphthalocyanines has been proposed. In our approach, we have studied the use of tetraazaporphyrins (porphyrazines) as sensitizers. This class of sensitizers has received very little attention. A number of porphyrazines were synthesized via the cyclization of tricyanovinyl amines and dinitrile amines in pentanol solution of magnesium oxide. These porphyrazines were converted to their respective zinc chelates and tested for their stability in acidic media and for their ability to photoinactivate cells in culture. Results indicate that these porphyrazines show promise and must be investigated further for applications in PDT.
• Kondratenko, N. V.; Movchun, V. N.; Kopranenkov, V. N., Journal of Organic Chemistry USSR (English Translation), 1992, vol. 28, # 10.2, p. 1723 - 1728
  作者：Kondratenko, N. V.、Movchun, V. N.、Kopranenkov, V. N.、Luk'yanets, E. A.、Yagupol'skii, L. M.

  DOI：——

  日期：——
• Kopranenkov,V.N. et al., Journal of Organic Chemistry USSR (English Translation), 1979, vol. 15, p. 962 - 967
  作者：Kopranenkov,V.N. et al.

  DOI：——

  日期：——
• Mommaerts, Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1941, vol. <5>27, p. 592,595,596
  作者：Mommaerts

  DOI：——

  日期：——