1-甲基-5-硝基吡唑-4-胺 | 89607-16-9

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 1-甲基-5-硝基吡唑-4-胺
• 英文名称: 4-amino-1-methyl-5-nitropyrazole
• 英文别名: 4-amino-5-nitro-1-methylpyrazole；1-methyl-3-nitropyrazole；4-amino-1-methyl-5-nitropyrazol；1H-Pyrazol-4-amine, 1-methyl-5-nitro-；1-methyl-5-nitropyrazol-4-amine
• CAS: 89607-16-9
• 化学式: C₄H₆N₄O₂
• 分子量: 142.117
• InChiKey: DZHKSYCPRIBWJJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  89.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-甲基-5-硝基吡唑-4-胺 在 nitrosylsulfuric acid 作用下， 以81%的产率得到1-methyl-4-diazo-5-pyrazolone
  参考文献：
  名称：

  Synthesis and physical chemical properties of isomers of vic-arylazonitro-1-methylpyrazoles

  摘要：

  DOI：

  10.1007/bf00487428
• 作为产物：
  描述：

  4-溴-1-甲基-5-硝基吡唑 在 铜 ammonium hydroxide 作用下， 反应 4.0h， 以59%的产率得到1-甲基-5-硝基吡唑-4-胺
  参考文献：
  名称：

  Amination of isomeric bromo-1-methylnitropyrazoles

  摘要：

  DOI：

  10.1007/bf00842842

文献信息

• N-phenylaminopyrazole derivatives as well as composition and process for
  申请人：Wella Aktiengesellschaft

  公开号：US05430159A1

  公开（公告）日：1995-07-04

  The hair dye composition includes at least one N-phenylaminopyrazole compound of the formula (V) ##STR1## wherein R.sup.1 is hydrogen, an alkyl group having from one to four carbon atoms or a hydroxyalkyl group having from two to four carbon atoms; R.sup.2 and R.sup.3 are each independently either a hydrogen, an amino groups or an alkyl group having from one to four carbon atoms; and R.sup.4 is hydrogen, an alkyl group having from one to four carbon atoms, an alkoxy group having from one to four carbon atoms or a halogen; and at least one conventional ingredient for hair dye compositions selected from the group consisting of emollients; preservatives; perfume oils; solvents; anionic, cationic, amphoteric and nonionic surfactants; thickeners; starch derivatives; cellulose derivatives; petrolatum; paraffin oil; fatty acids; conditioners; lanolin derivatives; cholesterol; pantothenic acid and betaines.

  这种染发剂的成分包括至少一种式（V）的N-苯基氨基吡唑化合物：##STR1## 其中R.sup.1是氢，具有1至4个碳原子的烷基或具有2至4个碳原子的羟基烷基；R.sup.2和R.sup.3各自独立地是氢、氨基或具有1至4个碳原子的烷基；R.sup.4是氢、具有1至4个碳原子的烷基、具有1至4个碳原子的烷氧基或卤素；以及从乳化剂、防腐剂、香料油、溶剂、阴离子、阳离子、两性和非离子表面活性剂、增稠剂、淀粉衍生物、纤维素衍生物、矿蜡、石蜡油、脂肪酸、护发素、羊毛脂衍生物、胆固醇、泛醇和甜菜碱中选择的至少一种传统染发剂成分。
• Oxidation hair dye composition containinng diaminopyrazol derivatives
  申请人：Wella Aktiengesellschaft

  公开号：US05061289A1

  公开（公告）日：1991-10-29

  Composition for the oxidative dyeing of hair based on a combination of developer substances and coupler substances contains, as developer substance, a diaminopyrazol of the general formula (I), ##STR1## wherein R.sup.1, R.sup.2 and R.sup.4 are identical or different and designate hydrogen, alkyl with 1 to 4 carbon atoms, hydroxyalkyl with 2 to 4 carbon atoms, benzyl or phenyl, and R.sup.3 is hydrogen, alkyl with 1 to 4 carbon atoms, hydroxyalkyl with 2 to 4 carbon atoms, with the proviso that the amino groups are in 3,4 or 4,5 position, or its physiologically tolerated, water-soluble salt, new diaminopyrazol derivatives of the above general formula I are also described herein in which R.sup.1 is methyl or benzyl and the R.sup.2 and R.sup.4 are either benzyl, phenyl, hydrogen, alkyl with 1 to 4 carbon atoms or hydroxyalkyl with 2 to 4 carbon atoms and R.sup.3 is either hydrogen, alkyl with 1 to 4 carbon atoms or hydroxylakyl with 2 to 4 carbon atoms. The compounds of formula I are developer substances which are very favorably tolerated physiologically and enable brilliant hair coloring of great depth of color in the red range.

  基于开发剂和偶联剂的组合的氧化染发组合物，包含作为开发剂的一种一般式(I)的二氨基吡唑，其中R.sup.1、R.sup.2和R.sup.4相同或不同，分别表示氢、具有1至4个碳原子的烷基、具有2至4个碳原子的羟基烷基、苄基或苯基，而R.sup.3表示氢、具有1至4个碳原子的烷基、具有2至4个碳原子的羟基烷基，但氨基在3,4或4,5位置，或其生理耐受性、水溶性盐。本文还描述了上述一般式I的新二氨基吡唑衍生物，其中R.sup.1为甲基或苄基，而R.sup.2和R.sup.4为苄基、苯基、氢、具有1至4个碳原子的烷基或具有2至4个碳原子的羟基烷基，而R.sup.3为氢、具有1至4个碳原子的烷基或具有2至4个碳原子的羟基烷基。式I化合物是非常耐受生理的开发剂，能够在红色范围内实现色彩深度极高的出色染发效果。
• Characteristic features of diazotization of 5,4- and 4,5-aminonitropyrazoles and reduction of 5-arylazo-1-methyl-4-nitropyrazoles
  作者：V. P. Perevalov、L. I. Baryshnenkova、E. A. Denisova、M. A. Andreeva、B. I. Stepanov

  DOI：10.1007/bf00505972

  日期：1984.12
• PEREVALOV, V. P.;BARYSHNENKOVA, L. I.;KOROLEVA, V. V.;KURKINA, L. G.;KRAM+, XIMIYA GETEROTSIKL. SOED.,(1990) N, S. 628-632
  作者：PEREVALOV, V. P.、BARYSHNENKOVA, L. I.、KOROLEVA, V. V.、KURKINA, L. G.、KRAM+

  DOI：——

  日期：——
• PEREVALOV, V. P.;BARYSHNENKOVA, L. I.;ANDREEVA, M. A.;MANAEV, YU. A.;DENI+, XIMIYA GETEROTSIKL. SOEDIN., 1983, N 12, 1672-1675
  作者：PEREVALOV, V. P.、BARYSHNENKOVA, L. I.、ANDREEVA, M. A.、MANAEV, YU. A.、DENI+

  DOI：——

  日期：——