乙酸-(3-羟基-5-硝基-苯胺) | 116296-08-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 乙酸-(3-羟基-5-硝基-苯胺)
• 英文名称: acetic acid-(3-hydroxy-5-nitro-anilide)
• 英文别名: Essigsaeure-(3-hydroxy-5-nitro-anilid)；5-Nitro-3-acetamino-phenol；N-(3-hydroxy-5-nitrophenyl)-acetamide；N-(3-hydroxy-5-nitrophenyl)acetamide
• CAS: 116296-08-3
• 化学式: C₈H₈N₂O₄
• 分子量: 196.163
• InChiKey: RCVCSRDNENRTSP-UHFFFAOYSA-N

物化性质

• 沸点：
  444.3±40.0 °C(Predicted)
• 密度：
  1.477±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙酸-(3-羟基-5-硝基-苯胺) 在 盐酸 作用下， 生成 3-氨基-5-硝基苯酚
  参考文献：
  名称：

  Heller; Kammann, Chemische Berichte, 1909, vol. 42, p. 2192

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二硝基酚 在 盐酸 、 溶剂黄146 、 tin(ll) chloride 作用下， 生成 乙酸-(3-羟基-5-硝基-苯胺)
  参考文献：
  名称：

  Heller; Kammann, Chemische Berichte, 1909, vol. 42, p. 2192

  摘要：

  DOI：

文献信息

• Coupling compounds and hair dyeing compositions containg them
  申请人：DyStar Textilfarben GmbH & Co. Deutschland KG

  公开号：EP1847526A1

  公开（公告）日：2007-10-24

  The present invention refers to Compound of the formula (I) wherein X is oxygen or sulphur; R1 is (C1-C4)-alkyl, (C1-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy, hydroxy-(C1-C4)-alkoxy, CN, -COOR6, -CON(R6)2 or -N(R6)2 or is phenyl; R2 is hydrogen, methyl or ethyl; R3 is hydrogen, (C1-C4)-alkylsulfonyl, (C1-C4)-alkylsulfonyl which is substituted by hydroxy, halogen, cyano, (C1-C4)-alkoxy or -N(R6)2 or is -SO2-CH=CH2, -SO2N(R6)2 or -PO(OR6)2; or R3 is hydroxy-(C1-C4)-alkyl if R4 and R5 are not hydrogen ; R4 is hydrogen, (C1-C4)-alkyl, (C1-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy, or hydroxy-(C1-C4)-alkoxy ; R5 is hydrogen, (C1-C4)-alkyl, (C1-C4)-alkyl which is substituted by hydroxy, (C1-C4)-alkoxy or hydroxy-(C1-C4)-alkoxy ; R6 is hydrogen, (C1-C4)-alkyl or hydroxy-(C1-C4)-alkyl; whereas R3, R4 and R6 are all hydrogen or are different and whereas the compound of the formula (I) wherein R1 is methyl and R2 to R5 are hydrogen is diesclaimt, as well as hair dye compositions containing them.

  本发明涉及式(I)化合物，其中X为氧或硫；R1为(C1-C4)烷基、被羟基取代的(C1-C4)烷基、(C1-C4)烷氧基、羟基-(C1-C4)烷氧基、氰基、-COOR6、-CON(R6)2或-N(R6)2或为苯基；R2为氢、甲基或乙基；R3为氢、(C1-C4)烷基磺酰基、被羟基、卤素、氰基、(C1-C4)烷氧基或-N(R6)2取代的(C1-C4)烷基磺酰基，或为-SO2-CH=CH2、-SO2N(R6)2或-PO(OR6)2；或者，当R4和R5不为氢时，R3为羟基-(C1-C4)烷基；R4为氢、(C1-C4)烷基、被羟基、(C1-C4)烷氧基或羟基-(C1-C4)烷氧基取代的(C1-C4)烷基；R5为氢、(C1-C4)烷基、被羟基、(C1-C4)烷氧基或羟基-(C1-C4)烷氧基取代的(C1-C4)烷基；R6为氢、(C1-C4)烷基或羟基-(C1-C4)烷基；其中R3、R4和R6均为氢或不同，并且式(I)化合物中R1为甲基且R2至R5均为氢的化合物除外，以及含有它们的染发组合物。
• Heller, Chemische Berichte, 1923, vol. 56, p. 1873
  作者：Heller

  DOI：——

  日期：——
• A Convenient Method of Meta-Directing Nitration of 3-Substituted Phenol by Lanthanide (III) Nitrates
  作者：Gu, Shangxiang、Jing, Huanwang、Wu, Jigui、Liang, Yongmin

  DOI：10.1080/00397919708004154

  日期：1997.8

  Thirteen compounds of 3-substituted phenols ware nitrated by lanthanide(III) nitrates in a solution of ethyl acetate. Whether the substituents were ortho-, para-directing groups or meta-directing groups, only one kind nitrated product, 3-substituted-5-nitropenol, and its intermediate were obtained respectively.
• COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM
  申请人：DyStar Textilfarben GmbH & Co. Deutschland KG

  公开号：EP2032524A1

  公开（公告）日：2009-03-11
• US4337061A
  申请人：——

  公开号：US4337061A

  公开（公告）日：1982-06-29