2-hydroxy-4,6-dimethoxy-2-(3,4,5-trimethoxy-benzyl)-benzofuran-3-one | 57601-10-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-hydroxy-4,6-dimethoxy-2-(3,4,5-trimethoxy-benzyl)-benzofuran-3-one
• 英文别名: 2-Hydroxy-4,6-dimethoxy-2-(3,4,5-trimethoxy-benzyl)-benzofuran-3-on；2-hydroxy-4,6-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-3-one
• CAS: 57601-10-2
• 化学式: C₂₀H₂₂O₈
• 分子量: 390.39
• InChiKey: LTUQTHMMVQPFCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  92.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-hydroxy-4,6-dimethoxy-2-(3,4,5-trimethoxy-benzyl)-benzofuran-3-one 在 氢氧化钾 作用下， 生成 3-hydroxy-4,6-dimethoxy-3-(3,4,5-trimethoxy-benzyl)-3H-benzofuran-2-one
  参考文献：
  名称：

  Kotake; Kubota, Justus Liebigs Annalen der Chemie, 1940, vol. 544, p. 253,254

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-2-methoxy-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one 、 盐酸 生成 2-hydroxy-4,6-dimethoxy-2-(3,4,5-trimethoxy-benzyl)-benzofuran-3-one
  参考文献：
  名称：

  FERREIRA D.; BRANDT E. V.; VOLSTEEDT F. DU R.; ROUX D. G., J. CHEM. SOC. PERKIN TRANS., PART 1 , 1975, NO 15, 1437-1446

  摘要：

  DOI：

文献信息

• Molho et al., Bulletin de la Societe Chimique de France, 1959, p. 454
  作者：Molho et al.

  DOI：——

  日期：——
• Molho, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1959, vol. 248, p. 1535
  作者：Molho

  DOI：——

  日期：——
• Magnetic properties of mixed graphite containing both hexagonal and rhombohedral forms
  作者：S. Chehab、K. Guérin、J. Amiell、S. Flandrois

  DOI：10.1007/s100510050028

  日期：2000.1

  Magnetic properties of graphite materials containing variable fractional amounts (up to 40%) of the Rhombahedral graphite form have been investigated by means of electron spin resonance. The variations with temperature and rhombohedral content of the Lande g-factor, ESR linewidth and paramagnetic spin-susceptibility have been analyzed. A narrow parallelism in the behaviours of the g-factor, linewidth and diamagnetic susceptibility (as the latter is known from an earlier work by Gasparoux) has been perceived, conforming to a similar parallelism between these three physical quantities present in earlier works on graphitic-type systems, but there, as a function of high-temperature-treatment and dopant concentration. From the g-value results, the g-anisotropy of the rhombohedral structure is inferred. The paramagnetic spin-susceptibility shows an increased tendency toward 2D character with increased rhombohedral content, in agreement with the theoretical predictions of McClure concerning (hypothetical) rhombohedral graphite.
• Kubota, Nippon Kagaku Zasshi, 1952, vol. 73, p. 571
  作者：Kubota

  DOI：——

  日期：——
• Kubota, Nippon Kagaku Kaishi, 1938, vol. 59, p. 1160,1161
  作者：Kubota

  DOI：——

  日期：——