1-(3,5-Dimethoxy-phenyl)-nonadecanol-(1) | 96215-87-1

• 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: 1-(3,5-Dimethoxy-phenyl)-nonadecanol-(1)
• 英文别名: 1-(3,5-dimethoxyphenyl)nonadecan-1-ol
• CAS: 96215-87-1
• 化学式: C₂₇H₄₈O₃
• 分子量: 420.676
• InChiKey: JLSAMSSBJUKBHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  528.5±45.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.39
• 重原子数：
  30.0
• 可旋转键数：
  20.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  38.69
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-(3,5-Dimethoxy-phenyl)-nonadecanol-(1) 在 palladium on activated charcoal 吡啶 、 硫酸 、 氢气 、 吡啶盐酸盐 作用下， 以 乙酸乙酯 为溶剂， 生成 5-Nonadecyl-resorcin-diacetat
  参考文献：
  名称：

  Wheat Bran Phenols¹

  摘要：

  DOI：

  10.1021/jo01025a046
• 作为产物：
  描述：

  1-octadecylmagnesium bromide 在 氢氧化钾 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 1-(3,5-Dimethoxy-phenyl)-nonadecanol-(1)
  参考文献：
  名称：

  A cytotoxic constituent of Lysimachia japonica Thunb. (Primulaceae) and the structure-activity relationships of related compounds.

  摘要：

  从 Lysimachia japonica THUNB.（报春花科）中分离出一种具有细胞毒性的烷基间苯二酚，并确定其为 grevillol (2)。(体外测试了它对 KB、B-16、PC-13、L-5178Y、P-388 和 HEp-2 细胞的细胞毒性。还测试了合成的相关化合物对 KB 细胞系的细胞毒性，并讨论了其结构-活性关系。

  DOI：

  10.1248/cpb.37.2431

文献信息

• Cereal grain resorcinolic lipids: mono and dienoic homologues are present in rye grains
  作者：Arkadiusz Kozubek、John H.P Tyman

  DOI：10.1016/0009-3084(95)02480-7

  日期：1995.10

  Analyses (UV, IR, H-1-NMR, MS) of the main phenolic fractions isolated by sequential separation on normal-phase and by argentation chromatography on silica gel confirmed the presence of monoenoic and dienoic homologues of 1,3-dihydroxy-5-n-alkylbenzene in acetone extracts from rye grains. Conversion of mono and dienoic homologue dimethyl ethers to the cis-diols with osmium tetroxide, transformation of the diol to the acetonide with acetone and subsequent MS analysis of resulting derivatives showed that the breakdown pattern for the monoenoic homologues was consistent with a double bond in all the homologous chain length at the 8-position. For dienes, the results were not so conclusive, although the 8- and 11-positions appear to be the favoured ones. It has been also shown that rye 5-n-ketoalkylresorcinols contain a previously unobserved C17 homologue. All identifications were confirmed by comparison with synthetically obtained C19:0 and C21:0 5-n-alkylresorcinols and a 5-n-(2-keto-heptadecyl)resorcinol. Other minor phenolic components present in the acetone extract were identified as homologous 5-n-(2-hydroxyalkyl)resorcinols.
• ARISAWA, MUNEHISA;OHMURA, KAZUNOBU;KOBAYASHI, AKIO;MORITA, NAOKATA, CHEM. AND PHARM. BULL., 37,(1989) N, C. 2431-2434
  作者：ARISAWA, MUNEHISA、OHMURA, KAZUNOBU、KOBAYASHI, AKIO、MORITA, NAOKATA

  DOI：——

  日期：——