1-hydroxy-[2]naphthoic acid-(4-hydroxy-anilide) | 109091-36-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-hydroxy-[2]naphthoic acid-(4-hydroxy-anilide)
• 英文别名: 1-Hydroxy-[2]naphthoesaeure-(4-hydroxy-anilid)；1-hydroxy-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
• CAS: 109091-36-3
• 化学式: C₁₇H₁₃NO₃
• 分子量: 279.295
• InChiKey: UVPVMSQHZQXBCO-UHFFFAOYSA-N

物化性质

• 熔点：
  180 °C
• 沸点：
  445.0±30.0 °C(Predicted)
• 密度：
  1.401±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对氨基苯酚 、 1-羟基-2-萘甲酸 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 以52%的产率得到1-hydroxy-[2]naphthoic acid-(4-hydroxy-anilide)
  参考文献：
  名称：

  Synthesis, antimicrobial, and QSAR studies of substituted benzamides

  摘要：

  A series of new substituted benzamides were synthesized and tested in vitro for their antibacterial activity against Grampositive and Gram-negative bacteria and as well for antifungal activity. The compounds 8i and 9 showed better activity among the different benzamides synthesized. The structural characteristics governing antibacterial activities of substituted benzamides were studied using QSAR methodology. The results showed that the antimicrobial activity could be modeled using the topological descriptors, molecular connectivity indices ((2)chi(v) and (2)chi) and Kiers shape index (kappa alpha(1)). The low residual activity and high cross-validated r(2) values (r(cv)(2)) observed indicated the predictive ability of the developed QSAR models. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.03.074

文献信息

• Carissimi, Farmaco, Edizione Scientifica, 1958, vol. 13, p. 817,821
  作者：Carissimi

  DOI：——

  日期：——