4-[6-(4-Chlorophenoxy)hexyl]-3,5-heptanedione | 56219-52-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-[6-(4-Chlorophenoxy)hexyl]-3,5-heptanedione
• 英文别名: 4-[6-(4-Chlorophenoxy)hexyl]heptane-3,5-dione
• CAS: 56219-52-4
• 化学式: C₁₉H₂₇ClO₃
• 分子量: 338.875
• InChiKey: DEEDFQYTXXAGHX-UHFFFAOYSA-N

物化性质

• 沸点：
  168-178 °C(Press: 0.01 Torr)
• 密度：
  1.065±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  23
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-[6-(4-Chlorophenoxy)hexyl]-3,5-heptanedione 在 肼 作用下， 以 乙醇 为溶剂， 以8%的产率得到4-[6-(4-chloro-phenoxy)-hexyl]-3,5-diethyl-1H-pyrazole
  参考文献：
  名称：

  一些4-[（（芳氧基）烷基）吡唑的合成和抗疱疹活性。

  摘要：

  DOI：

  10.1021/jm00138a018
• 作为产物：
  描述：

  1-((6-bromohexyl)oxy)-4-chlorobenzene 生成 4-[6-(4-Chlorophenoxy)hexyl]-3,5-heptanedione
  参考文献：
  名称：

  Aryloxyalkyl diketones

  摘要：

  烷氧基烷基二酮和酮酯是一种有用的杀虫剂和抗病毒剂，可以从烷氧基烷基卤代物和二酮或酮酯的碱金属烯醇盐，或者从卤代烷基-二酮和酚的碱金属盐制备而成。

  公开号：

  US04031246A1

文献信息

• Antiviral activity of some .beta.-diketones. 1. Aryl alkyl diketones. In vitro activity against both RNA and DNA viruses
  作者：Guy D. Diana、U. Joseph Salvador、Ethel S. Zalay、Robert E. Johnson、Joseph C. Collins、David Johnson、William B. Hinshaw、Roman R. Lorenz、William H. Thielking、Francis Pancic

  DOI：10.1021/jm00216a003

  日期：1977.6

  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.
• DIANA, G. D.;CARABATEAS, P. M.;WILLIAMS, G. L.;PANCIC, F.;STEINBERG, B. A+, J. MED. CHEM., 1981, 24, N 6, 731-735
  作者：DIANA, G. D.、CARABATEAS, P. M.、WILLIAMS, G. L.、PANCIC, F.、STEINBERG, B. A+

  DOI：——

  日期：——
• Synthesis and antiherpetic activity of some 4-[(aryloxy)alkyl]pyrazoles
  作者：Guy D. Diana、Philip M. Carabateas、Gordon L. Williams、Francis Pancic、Bernard A. Steinberg

  DOI：10.1021/jm00138a018

  日期：1981.6
• 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.

  烷氧基烷基二酮和酮酯是一种有用的杀虫剂和抗病毒剂，可以从烷氧基烷基卤代物和二酮或酮酯的碱金属烯醇盐，或者从卤代烷基-二酮和酚的碱金属盐制备而成。