2-[2-(2-chloro-4-methoxyphenoxy)ethoxy]ethyl chloride | 62489-83-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[2-(2-chloro-4-methoxyphenoxy)ethoxy]ethyl chloride
• 英文别名: 2-chloro-1-[2-(2-chloroethoxy)ethoxy]-4-methoxybenzene
• CAS: 62489-83-2
• 化学式: C₁₁H₁₄Cl₂O₃
• 分子量: 265.136
• InChiKey: IEBGAJTYDJIKIW-UHFFFAOYSA-N

物化性质

• 沸点：
  139-140 °C(Press: 0.05 Torr)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[2-(2-chloro-4-methoxyphenoxy)ethoxy]ethyl chloride 、 3,5-庚烷二酮 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
• 作为产物：
  描述：

  2-氯-4-甲氧基苯酚 、 二氯乙醚 生成 2-[2-(2-chloro-4-methoxyphenoxy)ethoxy]ethyl chloride
  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

• 4-[6-(4-Cyanophenoxy)hexyl]-3,5-heptanedione
  申请人：Sterling Drug Inc.

  公开号：US04182727A1

  公开（公告）日：1980-01-08

  Sulfo- and aminosulfonyl-substituted aryloxyalkyl diketones, useful as anti-viral agents, are prepared, respectively, by reacting a phenoxyalkyl diketone with sulfuric acid; or by reacting a haloalkyl diketone with an alkali metal salt of a hydroxybenzenesulfonamide.

  具有抗病毒作用的磺酰基和氨基磺酰基取代的芳氧基烷基二酮，分别通过将苯氧基烷基二酮与硫酸反应；或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。
• Aminosulfonyl-substituted aryloxyalkyl diketones
  申请人：Sterling Drug Inc.

  公开号：US04246284A1

  公开（公告）日：1981-01-20

  Aminosulfonyl-substituted aryloxyalkyl diketones, useful as antiviral agents, are prepared by reacting a haloalkyl diketone with an alkali metal salt of a hydroxybenzenesulfonamide.

  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。
• 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