N,N-二乙基-4-(1H-1,2,4-三唑-3-基偶氮)苯胺 | 26903-94-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N,N-二乙基-4-(1H-1,2,4-三唑-3-基偶氮)苯胺
• 英文名称: Diethyl-[4-(4H-[1,2,4]triazol-3-ylazo)-phenyl]-amine
• 英文别名: Benzenamine, N,N-diethyl-4-(1H-1,2,4-triazol-3-ylazo)-；N,N-diethyl-4-(1H-1,2,4-triazol-5-yldiazenyl)aniline
• CAS: 26903-94-6
• 化学式: C₁₂H₁₆N₆
• 分子量: 244.299
• InChiKey: KTKFBJWQVDOLMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  69.5
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  硫酸二甲酯 、 N,N-二乙基-4-(1H-1,2,4-三唑-3-基偶氮)苯胺 在 magnesium oxide 作用下， 以 溶剂黄146 为溶剂， 生成 3-{[4-(二乙基氨基)苯基]偶氮}-1,4-二甲基-4,5-二氢-1H-1,2,4-三唑-1-鎓氯化物 、 5-{[4-(二乙基氨基)苯基]偶氮}-1,4-二甲基-4,5-二氢-1H-1,2,4-三唑-1-鎓氯化物
  参考文献：
  名称：

  Brierley, David; Gregory, Peter; Parton, Brian, Journal of Chemical Research, Miniprint, 1980, # 5, p. 2476 - 2487

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氨基-1,2,4-三氮唑 、 N,N-二乙基苯胺 在 盐酸 、 硫酸 、 sodium nitrite 作用下， 生成 N,N-二乙基-4-(1H-1,2,4-三唑-3-基偶氮)苯胺
  参考文献：
  名称：

  Brierley, David; Gregory, Peter; Parton, Brian, Journal of Chemical Research, Miniprint, 1980, # 5, p. 2476 - 2487

  摘要：

  DOI：

文献信息

• Tricationic dyes
  申请人：Cremer Christian

  公开号：US20100011518A1

  公开（公告）日：2010-01-21

  Disclosed are compounds of formula D is an aromatic or a cationic heteroaromatic group, which is optionally substituted by C 1 -C 14 alkyl, C 1 -C 14 alkoxy, hydroxy-C 1 -C 14 alkyl, C 3 -C 8 cycloalkyl, —CN, NO 2 , —NR 3 R 4 , halogen, C 6 -C 10 aryl, which is optionally substituted or C 1 -C 14 alkyl, or by one or more groups Z; E 1 and E 2 independently from each other are ═CH; or ═N—; K is an aromatic or heteroaromatic group which is optionally substituted by C 1 -C 14 alkyl, C 1 -C 14 alkoxy, C 3 -C 8 cycloalkyl, C 6 -C 10 aryl, halogen, hydroxy, NO 2 , —NR 3 R 4 , —N(R 3 )(CO)R 4 , —SO 2 NR 1 R 2 , —SONR 1 R 2 or by one or more Z; or a radical of formula —NR 1 R 2 ; R 1 and R 2 independently from each other are hydrogen; C 1 -C 14 alkyl; cyclo-C 1 -C 14 alkyl; C 6 -C 10 aryl; an aromatic or heteroaromatic group which is optionally substituted by C 1 -C 14 alkyl, C 1 -C 14 alkoxy, C 3 -C 8 cycloalkyl, C 6 -C 10 aryl, halogen, hydroxy, —NR 5 R 6 , —N(R 5 )—(CO)R 5 or by Z; Z is a group of the formula (1a) *—X 1 —Y 1 —W 1 , wherein X 1 is the direct bond; —NR 7 —; —O—; —NR 7 (C═O)—; —(CO)NR 7 —; —O(C═O)—; —(CO)O—; or —(C═O)—; Y 1 is the direct bond; C 1 -C 12 alkylene, which is optionally interrupted by —O—, —NR 8 , —S—, —(C═O)—, —O(C═O)—, (C═O)O—, —NR 7 (C═O)—, —(C═O)NR 7 —, and which may substituted by C 1 -C 14 alkyl, hydroxy-C 1 -C 14 alkyl, hydroxy, —NR 9 R 10 or halogen; or C 6 -C 10 arylene, which may substituted by C 1 -C 14 alkyl, hydroxy-C 1 -C 14 alkyl, hydroxy, amino or halogen; W 1 is a cationic group; and R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 and R 10 independently from each other are hydrogen; C 1 -C 14 alkyl; or Z; and An 1 − , An 2 − and An 3 − independently from each other are an anion. The compounds are useful for dyeing of organic materials, such as keratin-containing fibers, wool, leather, silk, cellulose or polyamides, especially keratin-containing fibers, cotton or nylon, more preferably human hair.
• US7794509B2
  申请人：——

  公开号：US7794509B2

  公开（公告）日：2010-09-14
• Brierley, David; Gregory, Peter; Parton, Brian, Journal of Chemical Research, Miniprint, 1980, # 5, p. 2476 - 2487
  作者：Brierley, David、Gregory, Peter、Parton, Brian

  DOI：——

  日期：——