2-(N-methylureido)phenol | 87271-56-5

• 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: 2-(N-methylureido)phenol
• 英文别名: 1-(2-Hydroxyphenyl)-1-methylurea
• CAS: 87271-56-5
• 化学式: C₈H₁₀N₂O₂
• 分子量: 166.18
• InChiKey: ADVQPQTYTQJSOE-UHFFFAOYSA-N

物化性质

• 熔点：
  134-135 °C(Solv: benzene (71-43-2))
• 沸点：
  301.3±44.0 °C(Predicted)
• 密度：
  1.312±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 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：
  66.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(N-methylureido)phenol 在 氢氧化钾 作用下， 反应 3.0h， 生成 2-甲氨基苯酚
  参考文献：
  名称：

  An Acid-Catalyzed Rearrangement ofN-Alkyl-N′-phenoxyureas; Synthesis of 2-Alkylaminophenols from Phenols

  摘要：

  DOI：

  10.1055/s-1983-30386
• 作为产物：
  描述：

  1-甲基-3-苯氧基脲 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以85%的产率得到2-(N-methylureido)phenol
  参考文献：
  名称：

  An Acid-Catalyzed Rearrangement ofN-Alkyl-N′-phenoxyureas; Synthesis of 2-Alkylaminophenols from Phenols

  摘要：

  DOI：

  10.1055/s-1983-30386

文献信息

• Intramolecular ureido and amide group participation in reactions of carbonate diesters
  作者：Stephen W. King、R. Natarajan、Ramesh Bembi、Thomas H. Fife

  DOI：10.1021/ja00053a006

  日期：1992.12

  of benzoxazolinone is quantitative. Phenol is released in the initial step from both esters in an apparent OH - -catalyzed reaction, which shows that intramolecular nucleophilic attack by the ureido group is via an anionic species. The pH-rate constant profile for the second step in the reaction of the ethyl ester is sigmoidal K app =8.9

  乙基和苯基 2-脲基苯基碳酸酯在 H 2 O 中于 30 o C 的环化包括两个独立的步骤，最终产物为苯并恶唑啉酮。苯并恶唑啉酮的形成是定量的。在明显的 OH - 催化反应中，苯酚在初始步骤中从两种酯中释放出来，这表明脲基的分子内亲核攻击是通过阴离子物质进行的。乙酯反应中第二步的 pH 速率常数曲线为 S 形 K app = 8.9
• ENDO, YASUYUKI;SHUDO, KOICHI;OKAMOTO, TOSHIHIKO, SYNTHESIS, BRD, 1983, N 6, 471-472
  作者：ENDO, YASUYUKI、SHUDO, KOICHI、OKAMOTO, TOSHIHIKO

  DOI：——

  日期：——
• METHOD AND COMPOSITION FOR THE GRADUAL PERMANENT COLORING OF HAIR
  申请人：UNILEVER PLC

  公开号：EP1370221A2

  公开（公告）日：2003-12-17
• PERMANENT COLORING OF HAIR USING AN OXIDATION HAIR DYE PRECURSOR AND A METAL CYANATE
  申请人：UNILEVER PLC

  公开号：EP1555993A2

  公开（公告）日：2005-07-27
• [EN] METHOD AND COMPOSITION FOR THE GRADUAL PERMANENT COLORING OF HAIR<br/>[FR] PROCEDE ET COMPOSITION DE COLORATION PERMANENTE DURABLE DES CHEVEUX
  申请人：UNILEVER PLC

  公开号：WO2002074266A2

  公开（公告）日：2002-09-26

  A method for permanently dyeing hair which comprises subjecting said hair to a number of treatments, having a set time interval between each two consecutive such treatments, wherein each treatment comprises steps a.) and b.) below: a.) contacting said hair, for a period of about 5 seconds to about 5 minutes with a recently made mixture of: i.) an alkaline composition comprising a dye intermediate in a shampoo base or in a conditioner base; and ii.) an acidic composition comprising an oxidating compound in a shampoo base or in a conditioner base; b.) rinsing said mixture from said hair with water;with the proviso that when a conditioner base is present in a.) i.) above, an independently selected conditioner base is also present in a.) ii.) above; and when a shampoo base is present in a.) i.) above, an independently selected shampoo base is also present in a.) ii.) above;and wherein said number of treatments is between about 2 to about 30; and wherein said set time interval between each two consecutive treatments is between about 8 hours and 30 days, is described.