(E)-1-(2-hydroxyphenyl)propan-2-one O-methyloxime | 58484-61-0

• 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: (E)-1-(2-hydroxyphenyl)propan-2-one O-methyloxime
• 英文别名: o-Hydroxyphenylpropan-2-on-O-methyloxim；2-[(2E)-2-methoxyiminopropyl]phenol
• CAS: 58484-61-0
• 化学式: C₁₀H₁₃NO₂
• 分子量: 179.219
• InChiKey: DCXRYYZNIFNVTD-DHZHZOJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-氯苯甲酰乙腈 、 邻羟基苯基丙酮 生成 (E)-1-(2-hydroxyphenyl)propan-2-one O-methyloxime
  参考文献：
  名称：

  (E)-1-(2-Hydroxyphenyl)propan-2-oneO-methyloxime forms hydrogen-bonded chains of edge-fusedR\bf{_4^4}(16) andR\bf{_4^4}(24) rings

  摘要：

  The title compound, C10H13NO2, crystallizes with Z' = 2 in space group P (1) over bar. The molecules are linked by two O - H...N hydrogen bonds [H...O = 1.97 and 1.98 Angstrom, O...N = 2.810 (2) and 2.815 (2) Angstrom, and O - H...N = 175 and 174 degrees] and by one C - H...O hydrogen bond [H...O = 2.50 Angstrom, C...O = 3.313 (2) Angstrom and C - H...O = 144degrees] into chains of edge-fused centrosymmetric rings in which R-4(4)(16) and R-4(4)(24) rings alternate.

  DOI：

  10.1107/s0108270104003737

文献信息

• (<i>E</i>)-1-(2-Hydroxyphenyl)propan-2-one<i>O</i>-methyloxime forms hydrogen-bonded chains of edge-fused<i>R</i>\bf{_4^4}(16) and<i>R</i>\bf{_4^4}(24) rings
  作者：Christopher Glidewell、John N. Low、Janet M. S. Skakle、James L. Wardell

  DOI：10.1107/s0108270104003737

  日期：2004.4.15

  The title compound, C10H13NO2, crystallizes with Z' = 2 in space group P (1) over bar. The molecules are linked by two O - H...N hydrogen bonds [H...O = 1.97 and 1.98 Angstrom, O...N = 2.810 (2) and 2.815 (2) Angstrom, and O - H...N = 175 and 174 degrees] and by one C - H...O hydrogen bond [H...O = 2.50 Angstrom, C...O = 3.313 (2) Angstrom and C - H...O = 144degrees] into chains of edge-fused centrosymmetric rings in which R-4(4)(16) and R-4(4)(24) rings alternate.