5-Amino-1-(3-aminophenyl)pyrazole-4-carbonitrile | 887472-38-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-Amino-1-(3-aminophenyl)pyrazole-4-carbonitrile
• CAS: 887472-38-0
• 化学式: C₁₀H₉N₅
• 分子量: 199.215
• InChiKey: FMYLBUYBDJRRLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 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：
  93.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Amino-1-(3-aminophenyl)pyrazole-4-carbonitrile 、 4-氯苯磺酰氯 在 吡啶 作用下， 反应 3.0h， 以78%的产率得到
  参考文献：
  名称：

  Novel azo dye compound

  摘要：

  化合物的化学式（I）：化学式（I）其中Z1是形成芳香环所需的原子；Z2是形成芳香杂环所需的原子；V1和V2分别是取代基，至少其中一个是羟基、一级、二级或三级氨基、酰胺基或磺胺基；r为1至4；s为1至4；由Z1或Z2形成的环可能具有除V1或V2之外的取代基；M1是一个对离子；m1是中和电荷所需的数量；X1和X2分别是碳原子或杂原子，至少其中一个是杂原子。

  公开号：

  US20060111568A1
• 作为产物：
  描述：

  5-氨基-1-(3-硝基苯基)-1H-吡唑-4-甲腈 在 铁粉 、 氯化铵 、 异丙醇 作用下， 以 水 为溶剂， 反应 1.5h， 以84%的产率得到5-Amino-1-(3-aminophenyl)pyrazole-4-carbonitrile
  参考文献：
  名称：

  Novel azo dye compound

  摘要：

  化合物的化学式（I）：化学式（I）其中Z1是形成芳香环所需的原子；Z2是形成芳香杂环所需的原子；V1和V2分别是取代基，至少其中一个是羟基、一级、二级或三级氨基、酰胺基或磺胺基；r为1至4；s为1至4；由Z1或Z2形成的环可能具有除V1或V2之外的取代基；M1是一个对离子；m1是中和电荷所需的数量；X1和X2分别是碳原子或杂原子，至少其中一个是杂原子。

  公开号：

  US20060111568A1

文献信息

• Novel azo compound and azo dye
  申请人：FUJIFILM Corporation

  公开号：EP1975202B1

  公开（公告）日：2011-12-14
• HAIR DYE COMPOSITION
  申请人：Yamaguchi Masakazu

  公开号：US20100146716A1

  公开（公告）日：2010-06-17

  A hair dye composition containing an azo dye represented by any one of the formulas (1) to (5): [wherein R 1 , R 2a , and R 2b each represents a hydrogen atom or a substituent, A and A′ each represents an aromatic heterocyclic residue (having a free valence at carbon atom thereof) and these groups have, in the structure thereof, none of a carboxy group, a sulfo group, and a quaternary ammonium group]; [R represents a coupler component, X 1 to X 4 represent atoms coupled together with the carbon atom sandwiched between X 1 and X 4 to form a 5-membered heteroaromatic ring, V 1 and V 2 each represents a substituent, and a1 and a2 each stands for from 0 to 3]; and [R 3 represents a hydroxy group, an alkylsulfonylamino group, an arylsulfonylamino group, or —CH(R 4 )(R 5 ) (R 4 and R 5 each representing a substituent having a Hammett's constant ? of 0.2 or greater and less than 1.4), W represents a S atom or N—R 6 (R6 representing a substituent), X, Y and Z each represents a nitrogen atom or a carbon atom, R 7 and R 8 each represents a substituent, and b stands for from 0 to 2].
• US7629459B2
  申请人：——

  公开号：US7629459B2

  公开（公告）日：2009-12-08
• US7896931B2
  申请人：——

  公开号：US7896931B2

  公开（公告）日：2011-03-01
• [EN] HAIR DYE COMPOSITION<br/>[FR] COMPOSITION DE TEINTURE CAPILLAIRE
  申请人：KAO CORP

  公开号：WO2009005139A2

  公开（公告）日：2009-01-08

  A hair dye composition containing an azo dye represented by any one of the formulas (1) to (5): [wherein R1, R2a, and R2b each represents a hydrogen atom or a substituent, A and A' each represents an aromatic heterocyclic residue (having a free valence at carbon atom thereof) and these groups have, in the structure thereof, none of a carboxy group, a sulfo group, and a quaternary ammonium group]; [R represents a coupler component, X1 to X4 represent atoms coupled together with the carbon atom sandwiched between X1 and X4 to form a 5-membered heteroaromatic ring, V1 and V2 each represents a substituent, and a1 and a2 each stands for from 0 to 3]; and [R3 represents a hydroxy group, an alkylsulfonylamino group, an arylsulfonylamino group, or -CH(R4)(R5) (R4 and R5 each representing a substituent having a Hammett's constant ? of 0.2 or greater and less than 1.4), W represents a S atom or N-R6 (R6 representing a substituent), X, Y and Z each represents a nitrogen atom or a carbon atom, R7 and R8 each represents a substituent, and b stands for from 0 to 2].