2-hydroxy-1-naphthoylacetone | 152153-27-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-hydroxy-1-naphthoylacetone
• 英文别名: 1-(2-hydroxy-[1]naphthyl)-butane-1,3-dione；1-(2-Hydroxy-[1]naphthyl)-butan-1,3-dion
• CAS: 152153-27-0
• 化学式: C₁₄H₁₂O₃
• 分子量: 228.247
• InChiKey: FOGWVTHJVZHUCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  54.37
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-hydroxy-1-naphthoylacetone 在 硫酸 作用下， 生成 3-methyl-4H-naphtho[2,1-b]pyran-1-one
  参考文献：
  名称：

  Infrared spectra and theoretical study of methyl, formyl and acetyl derivatives of chromones

  摘要：

  The C=O stretching frequencies of substituted 2-methylchromones (3a-3j). 2-formylchromones (4a-4j), 3-formylchromones (5a-5j) and 3-acetyl-2-methylchromones (6a-6i) were measured in CCl4 and CHCl3 and correlated with sigma+ substituent constants. Using the results of the infrared spectral investigation and the theoretical calculations by the semiempirical AM1 method, the conformation and the transmission of electronic effects in compounds 4-6 were studied. For the 2-substituted chromone system the transmission factory gamma according to the definition of Charton was determined. The preparation of some new 2-methylchromones (3e-3j) and 3-(2,2-diformyl-chlorovinyl)-6-methylchromone (7) is also described.

  DOI：

  10.1007/bf00819522
• 作为产物：
  描述：

  乙酸乙酯 、 alkaline earth salt of/the/ methylsulfuric acid 在 sodium 作用下， 生成 2-hydroxy-1-naphthoylacetone
  参考文献：
  名称：

  Wittig, Justus Liebigs Annalen der Chemie, 1926, vol. 446, p. 179

  摘要：

  DOI：

文献信息

• Wittig; Blumenthal, Chemische Berichte, 1927, vol. 60, p. 1093
  作者：Wittig、Blumenthal

  DOI：——

  日期：——
• Garg, S.; Ishar, M. P. S.; Sarin, R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1994, vol. 33, # 12, p. 1123 - 1128
  作者：Garg, S.、Ishar, M. P. S.、Sarin, R.、Gandhi, R. P.

  DOI：——

  日期：——