2'-amino-4,6-dimethoxy-2-hydroxybenzophenone | 61736-72-9

• 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'-amino-4,6-dimethoxy-2-hydroxybenzophenone
• 英文别名: 2-Hydroxy-2'-amino-4,6-dimethoxybenzophenon；Methanone, (2-aminophenyl)(2-hydroxy-4,6-dimethoxyphenyl)-；(2-aminophenyl)-(2-hydroxy-4,6-dimethoxyphenyl)methanone
• CAS: 61736-72-9
• 化学式: C₁₅H₁₅NO₄
• 分子量: 273.288
• InChiKey: ZFWSXWPCYARAHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  81.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,5-二甲氧基苯酚 在 三氯化铝 、 氯化铵 、 锌 作用下， 以 乙醚 、 乙醇 、 水 为溶剂， 反应 6.75h， 生成 2'-amino-4,6-dimethoxy-2-hydroxybenzophenone
  参考文献：
  名称：

  Rutaceous constituents—13

  摘要：

  DOI：

  10.1016/s0040-4020(01)97737-3

文献信息

• 2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole
  作者：R. Alan Howie、Abdul Jabbar、John R. Lewis、Shaikh S. Nizami、Craig F. Ritchie

  DOI：10.1107/s0108270103015713

  日期：2003.9.15

  The title compounds, C15H13NO4, (I), and C13H9NO, (II), are produced, along with the corresponding anilines, by the reduction of the appropriate o-nitrobenzophenones. In ( I), the planar benzisoxazole and phenol fragments are tilted relative to one another by a rotation of 53.02 (14)degrees about the bond joining them, and the molecules are linked into chains by phenol O-H...N and phenyl C-H...O-oxazole hydrogen bonds. The cell of (II) (space group I2/c) contains eight molecules in general positions, four more in the 2b sites, with twofold axial symmetry that induces a degree of disorder, and a further four as centrosymmetric pairs of complete molecules, each with an occupancy of one-half. The relative tilt of the planar fragments varies slightly from one molecule to another but is much less than that in (I), ranging from 8.8 (8) to 12.58 (15)degrees.
• Rutaceous constituents—13
  作者：Joyce H. Adams、P. Margaret Brown、the late Padma Gupta、M. Shafig Khan、John R. Lewis

  DOI：10.1016/s0040-4020(01)97737-3

  日期：1981.1