chlorofumarodinitrile | 71200-79-8

• 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: chlorofumarodinitrile
• 英文别名: chloro-fumaric acid dinitrile；Chlor-fumarsaeure-dinitril；(Z)-2-chloro-2-butenedinitrile；monochloro fumaronitrile；monochlorofumaronitrile；2-Butenedinitrile, 2-chloro-, (Z)-；(Z)-2-chlorobut-2-enedinitrile
• CAS: 71200-79-8
• 化学式: C₄HClN₂
• 分子量: 112.518
• InChiKey: VXBAYIAWNLPBHU-RJRFIUFISA-N

物化性质

• 熔点：
  60.5°C
• 沸点：
  171.74°C (rough estimate)
• 密度：
  1.2499

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：

  chlorofumarodinitrile 在 二氯化二硫 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以79%的产率得到3,4-二氯-5-氰基并噻唑
  参考文献：
  名称：

  PROCESS FOR PRODUCING ISOTHIAZOLE DERIVATIVE

  摘要：

  一种生产3,4-二氯-5-氰基异噻唑的方法，该方法包括：将一种由通用式(1)表示的腈化合物（其中“n”表示0至2的整数）与由通用式(2)表示的硫氯化物（化学式18）SmCl2（其中“m”表示1至2的整数）或二者的混合物在无水极性溶剂中反应。提供了一种生产3,4-二氯-5-氰基异噻唑的方法，该方法能够抑制废物的副产物，而无需使用具有强毒性的原料；并且能够以简单的方式在工业规模上以高产率和高效率提供高纯度的产品。

  公开号：

  US20120046473A1
• 作为产物：
  描述：

  (Z)-丁-2-烯二腈 在 盐酸 、 氯仿 、 氯 作用下， 生成 chlorofumarodinitrile
  参考文献：
  名称：

  US2443494

  摘要：

  公开号：

文献信息

• Process for the preparation of pyrazole derivatives
  申请人：BASF SE

  公开号：US08288563B2

  公开（公告）日：2012-10-16

  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)的吡唑衍生物的过程，其中W为氮或CR1，R1、R2、R4和R5各自独立选择自氢、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为氢、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，所述苯基未取代或取代为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，这些基团相同或不同；R7为C1-C6-烷基或C1-C6-卤代烷基；n为0、1或2；其特征在于化合物式(III)与式(I)中定义的吡唑衍生物的W、R2、R3、R4和R5如式(II)中定义的肼反应。
• Synthesis of Alkyl- and Alkyloxy-Substituted 2,3-Naphthalocyanines
  作者：Rainer Polley、Michael Hanack

  DOI：10.1021/jo00130a031

  日期：1995.12

  Four novel differently substituted 2,3-dicyanonaphthalenes (6-(hexyloxy)-2,3-dicyanonaphthalene (5), 5-(hexyloxy)-2,3-dicyanonaphthalene (11), 6,7-bis(hexyloxy)-2,3-dicyanonaphthalene (17), and 5,8-diheptyl-2,3-dicyanonaphthalene (22)) and the respective peripherally substituted (bis(tert-butylisocyano)-2,3-naphthalocyaninato)iron(II) compounds 23-26 were synthesized and characterized.
• 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.
• Mommaerts, Bulletin des Societes Chimiques Belges, 1943, vol. 52, p. 64,70,76
  作者：Mommaerts

  DOI：——

  日期：——
• METHOD FOR PRODUCING ISOTHIAZOLE DERIVATIVE
  申请人：Ihara Chemical Industry Co., Ltd.

  公开号：EP2426114B1

  公开（公告）日：2013-11-20