3-amino-5-(methylsulfanyl)[1,1'-biphenyl]-2,4-dicarbonitrile | 77697-96-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-amino-5-(methylsulfanyl)[1,1'-biphenyl]-2,4-dicarbonitrile
• 英文别名: 3-amino-5-methylsulfanyl-biphenyl-2,4-dicarbonitrile；2-amino-4-methylsulfanyl-6-phenylisophtalonitrile；2-Amino-4-methylsulfanyl-6-phenylbenzene-1,3-dicarbonitrile
• CAS: 77697-96-2
• 化学式: C₁₅H₁₁N₃S
• 分子量: 265.338
• InChiKey: BOGMRCXMLHBPCG-UHFFFAOYSA-N

物化性质

• 熔点：
  242-244 °C(Solv: acetic acid (64-19-7))
• 沸点：
  505.8±50.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  98.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙醇 以43%的产率得到
  参考文献：
  名称：

  PESEKE K., J. PRAKT. CHEM., 1981, 323, NO 3, 499-505

  摘要：

  DOI：

文献信息

• Substituent Effects and Structural Features of α,α-Dicyanoolefins and Ketene Dithioacetals on Directing Polyfunctionalized 2,6-Dicyanoanilines or Pyrazolo[1,5-a]pyridines
  作者：Abdolali Alizadeh、Seyed Hosseini、Amir Vahabi

  DOI：10.1055/s-0034-1379041

  日期：——

  products, which is dictated by the structure and functionality of substrates. An efficient and facile synthesis of pyrazolo[1,5-a]pyridine and polyfunctionalized 2,6-dicyanoaniline derivatives via vinylogous Michael addition of cyclic or acyclic α,α-dicyanoolefins to electron-deficient ketene dithioacetals in the presence of hydrazine at room temperature is described. The prominent feature of this one-pot

  摘要 在室温下在肼存在下，通过将乙烯基或环状的无环α，α-二氰基烯烃的乙烯基乙烯基加成到缺电子的烯酮二硫缩醛中，高效，简便地合成吡唑并[1,5- a ]吡啶和多官能化的2,6-二氰基苯胺描述。这种一锅法的显着特征是产品性质上的明显二分法，这取决于基质的结构和功能。 在室温下在肼存在下，通过将乙烯基或环状的无环α，α-二氰基烯烃的乙烯基乙烯基加成到缺电子的烯酮二硫缩醛中，高效，简便地合成吡唑并[1,5- a ]吡啶和多官能化的2,6-二氰基苯胺描述。这种一锅法的显着特征是产品性质上的明显二分法，这取决于基质的结构和功能。
• 3-ARYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE AND MITICIDE
  申请人：Toriyabe Keiji

  公开号：US20050107383A1

  公开（公告）日：2005-05-19

  3-Arylphenyl sulfide derivatives represented by general formula (I): (wherein R is a C 2 -C 6 alkyl group, a C 2 -C 6 alkenyl group, a C 2 -C 6 alkynyl group or the like, B 0 to B 2 and B 3 are hydrogen atoms, halogen atoms, cyano groups, C 1 -C 4 haloalkyl groups or the like, n is 0, 1 or 2, and Ar is a phenyl ring, a pyridine ring, a thiophene ring, a pyrazole ring or the like), and insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient.

  一般式（I）所代表的3-芳基苯基硫醚衍生物：（其中R是C2-C6烷基，C2-C6烯基，C2-C6炔基或类似物，B0至B2和B3是氢原子，卤素原子，氰基，C1-C4卤代烷基或类似物，n为0、1或2，Ar为苯环，吡啶环，噻吩环，吡唑环或类似物），以及含有3-芳基苯基硫醚衍生物作为活性成分的杀虫剂和杀螨剂。
• 3-arylphenyl sulfide derivative and insecticide and miticide
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：US20030069242A1

  公开（公告）日：2003-04-10

  3-Arylphenyl sulfide derivatives represented by general formula (I): 1 (wherein R is a C 2 -C 6 alkyl group, a C 2 -C 6 alkenyl group, a C 2 -C 6 alkynyl group or the like, B 0 to B 2 and B 3 are hydrogen atoms, halogen atoms, cyano groups, C 1 -C 4 haloalkyl groups or the like, n is 0, 1 or 2, and Ar is a phenyl ring, a pyridine ring, a thiophene ring, a pyrazole ring or the like), and insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient.

  一般式（I）所代表的3-芳基苯基硫醚衍生物：1（其中R是C2-C6烷基，C2-C6烯基，C2-C6炔基或类似物，B0至B2和B3是氢原子，卤素原子，氰基，C1-C4卤代烷基或类似物，n为0,1或2，Ar是苯环，吡啶环，噻吩环，吡唑环或类似物），以及含有3-芳基苯基硫醚衍生物作为活性成分的杀虫剂和杀螨剂。
• 3-Arylphenyl sulfide derivative and insecticide and miticide
  申请人：Toriyabe Keiji

  公开号：US20050171097A1

  公开（公告）日：2005-08-04

  3-Arylphenyl sulfide derivatives represented by general formula (I): (wherein R is a C 2 -C 6 alkyl group, a C 2 -C 6 alkenyl group, a C 2 -C 6 alkynyl group or the like, B 0 to B 2 and B 3 are hydrogen atoms, halogen atoms, cyano groups, C 1 -C 4 haloalkyl groups or the like, n is 0, 1 or 2, and Ar is a phenyl ring, a pyridine ring, a thiophene ring, a pyrazole ring or the like), and insecticides and miticides containing the 3-arylphenyl sulfide derivatives as an active ingredient.

  一般式(I)所代表的3-芳基苯基硫醚衍生物：（其中R是C2-C6烷基，C2-C6烯基，C2-C6炔基或类似物，B0至B2和B3是氢原子，卤素原子，氰基，C1-C4卤代烷基或类似物，n为0、1或2，Ar是苯环，吡啶环，噻吩环，吡唑环或类似物），以及含有3-芳基苯基硫醚衍生物的杀虫剂和螨酯作为活性成分。
• 3-ARYLPHENYL SULFIDE DERIVATIVES AND INSECTICIDES AND MITICIDES
  申请人：KUMIAI CHEMICAL INDUSTRY CO., LTD.

  公开号：EP1076053A1

  公开（公告）日：2001-02-14

  3-Arylphenyl sulfide derivatives represented by general formula (I) and insecticides and miticides containing these derivatives as the active ingredient, wherein R represents C2-6 alkyl, C2-6 alkenyl, C2-6 alkynyl, etc.; B0 to B2 and B3 represent each hydrogen, halogeno, cyano, C1-4 haloalkyl, etc.; n is 0, 1 or 2; and Ar represents a phenyl, thiophene or pyrazole ring etc.

  由通式(I)代表的3-芳基苯基硫醚衍生物和含有这些衍生物作为活性成分的杀虫剂和杀螨剂，其中R代表C2-6烷基、C2-6烯基、C2-6炔基等；B0至B2和B3分别代表氢、卤素、氰基、C1-4卤代烷基等；n为0、1或2；Ar代表苯基、噻吩或吡唑环等。