4{2-[2-(2-Chloro-4-methoxyphenoxy)ethoxy]ethyl}-3,5-heptane-dione | 62489-79-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4{2-[2-(2-Chloro-4-methoxyphenoxy)ethoxy]ethyl}-3,5-heptane-dione
• 英文别名: 4-{2-[2-(2-Chloro-4-methoxyphenoxy)ethoxy]ethyl}-3,5-heptanedione；4-[2-[2-(2-chloro-4-methoxyphenoxy)ethoxy]ethyl]heptane-3,5-dione
• CAS: 62489-79-6
• 化学式: C₁₈H₂₅ClO₅
• 分子量: 356.846
• InChiKey: IOKHFMRJFXYBOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  168-172 °C(Press: 0.005 Torr)
• 密度：
  1.131±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4{2-[2-(2-Chloro-4-methoxyphenoxy)ethoxy]ethyl}-3,5-heptane-dione 、 碘化油 、 、 锂 以of 3,5-heptanedione to give 12.1 g的产率得到3,5-庚烷二酮
  参考文献：
  名称：

  Aminosulfonyl-substituted aryloxyalkyl diketones

  摘要：

  含氨基磺酰基的芳氧基烷基二酮，可用作抗病毒剂，是通过将卤代烷基二酮与羟基苯磺酰胺的碱金属盐反应制备的。

  公开号：

  US04246284A1
• 作为产物：
  描述：

  2-氯-4-甲氧基苯酚 生成 4{2-[2-(2-Chloro-4-methoxyphenoxy)ethoxy]ethyl}-3,5-heptane-dione
  参考文献：
  名称：

  Antiviral activity of some .beta.-diketones. 1. Aryl alkyl diketones. In vitro activity against both RNA and DNA viruses

  摘要：

  The discovery that 4-[3-ethyl-6-[(3,4-methylenedioxy)phenyl]-3-hexenyl]-3,5-heptanedione (40) exhibited an in vitro inhibitory effect against equine rhinovirus led to a structure--activity study to establish the criteria for optimum activity. Modification of the bridge included removal of the ethyl group and reduction of the double bond. The heptanedione was replaced with hexanedione and pentanedione with a minimal effect. The effect of replacing the heptanedione with beta-keto esters and monoketones was also investigated. Maintaining the hexamethylene bridge and heptanedione, the methylenedioxy group was replaced with various substitutents. In general, most substituents did not adversely affect activity particularly against equine rhinovirus although there was some variation in activity against herpesvirus. Strongly hydrophilic groups significantly reduced activity. Finally, the effect of varying the length of the alkyl bridge was examined in the 4-hydroxyphenyl series, where peak activity was attained with n = 8.

  DOI：

  10.1021/jm00216a003

文献信息

• Aryloxyalkyl diketones
  申请人：Sterling Drug Inc.

  公开号：US04031246A1

  公开（公告）日：1977-06-21

  Aryloxyalkyl diketones and keto-esters, useful as pesticidal and anti-viral agents, are prepared from an aryloxyalkyl halide and an alkali metal enolate salt of a diketone or keto-ester, or from a haloalkyl-diketone and an alkali metal salt of a phenol.

  Aryloxyalkyl二酮和酮酯可用作杀虫剂和抗病毒剂，从Aryloxyalkyl卤代烷和二酮或酮酯的碱金属烯醇盐或从卤代烷基二酮和苯酚的碱金属盐制备。
• DIANA H. D.; SALVADOR U. J.; ZALAY E. S.; CARABATEAS P. M.; WILLIAMS G. L+, J. MED. CHEM. <JMCM-AR>, 1977, 20, NO 6, 757-761
  作者：DIANA H. D.、 SALVADOR U. J.、 ZALAY E. S.、 CARABATEAS P. M.、 WILLIAMS G. L+

  DOI：——

  日期：——
• US4182727A
  申请人：——

  公开号：US4182727A

  公开（公告）日：1980-01-08
• US4246284A
  申请人：——

  公开号：US4246284A

  公开（公告）日：1981-01-20