(8-Methoxy-naphthalen-2-yl)-acetic acid ethyl ester | 189955-26-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (8-Methoxy-naphthalen-2-yl)-acetic acid ethyl ester
• 英文别名: ethyl 2-(8-methoxynaphthalen-2-yl)acetate
• CAS: 189955-26-8
• 化学式: C₁₅H₁₆O₃
• 分子量: 244.29
• InChiKey: OBTFFGHRBOZPLR-UHFFFAOYSA-N

物化性质

• 沸点：
  370.4±17.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (8-Methoxy-naphthalen-2-yl)-acetic acid ethyl ester 在 三溴化硼 作用下， 生成 (8-Hydroxy-naphthalen-2-yl)-acetic acid ethyl ester
  参考文献：
  名称：

  A new synthetic analogue of the bracken ultimate carcinogen: Elevation of stability and alteration of DNA alkylation site selectivity

  摘要：

  The benzodienone 4 as a stable analogue of the bracken ultimate carcinogen (2) has been designed and synthesized. In the reaction with DNA the compound 4 was found to give only the N-7 alkylated product of guanine and no N-3 alkylated product of adenine and reveal guanine-selective cleavage in contrast to the natural dienone 2. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00572-8
• 作为产物：
  描述：

  溴乙酸乙酯 、 8-methoxy-N-methylnaphthalene-2-sulfonamide 生成 (8-Methoxy-naphthalen-2-yl)-acetic acid ethyl ester
  参考文献：
  名称：

  A new synthetic analogue of the bracken ultimate carcinogen: Elevation of stability and alteration of DNA alkylation site selectivity

  摘要：

  The benzodienone 4 as a stable analogue of the bracken ultimate carcinogen (2) has been designed and synthesized. In the reaction with DNA the compound 4 was found to give only the N-7 alkylated product of guanine and no N-3 alkylated product of adenine and reveal guanine-selective cleavage in contrast to the natural dienone 2. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4039(97)00572-8