4-[(6-溴己基)氧基]-3-氯苯甲醚 | 56219-58-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-[(6-溴己基)氧基]-3-氯苯甲醚
• 英文名称: 1-bromo-6-(2-chloro-4-methoxyphenoxy)hexane
• 英文别名: 6-(2-chloro-4-methoxyphenoxy)hexyl bromide；4-[(6-bromohexyl)oxy]-3-chloroanisole；6-(2-chloro-4-methoxyphenoxy)-hexyl-1-bromide；6-(2-chloro-4-methoxyphenoxy)hexyl-1-bromide；1-(2-Chlor-4-methoxyphenoxy)-6-bromhexan；4-((6-Bromohexyl)oxy)-3-chloroanisole；1-(6-bromohexoxy)-2-chloro-4-methoxybenzene
• CAS: 56219-58-0
• 化学式: C₁₃H₁₈BrClO₂
• 分子量: 321.642
• InChiKey: UKOSNWUWCKENON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[(6-溴己基)氧基]-3-氯苯甲醚 在 sodium iodide 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 生成 6-(2-chloro-4-methoxyphenoxy)hexyl-1-iodide
  参考文献：
  名称：

  Pharmaceutically active compounds

  摘要：

  该公开的发明是由以下式表示的化合物：Z--X--Q--Y--W，I Z--X--Q--Y--W'--Y--Q--X--Z II以及其药学上可接受的酸盐和季铵盐，其中Z为苯基、萘基或脱氢基；取代苯基，其中取代基为卤素、较低烷氧基、苯氧基、腈基、硝基、苯基磺酰基、甲基磺酰基、异噁唑-2-基、较低烷酰基、苯甲酰基、较低烷氧羰基、较低烷基、较低烷硫基、苯基、苯基氨基硫酰基或较低烷基氨基硫酰基的一种或多种；5或6成员未取代或取代的杂环环，其中至少有一个环中含有一个氮和一个碳，取代基为羧基、羟甲基、较低烷基、较低烷基羰基或芳基较低烷基；或者三丁基；X和Y各自独立为键，-O-，##STR1## Q为二价取代或未取代的直链或支链较低烷二基，-较低烷二炔基-环较低烷二基-较低烷二基-，较低烷二烯基，较低烷炔二基，苯基，四氢呋喃二基或四氢吡喃二基；W为单价取代或未取代的含有5至10个环原子的芳香杂环的单环或融合环，其中至少一个杂原子为氮原子，取代基为羟基、氨基、氨基甲酰基、羧基、腈基、硝基、氧代基、较低烷氧羰基、卤素、磺胺基、较低烷基、较低烷硫基、较低烷氧基、羟基较低烷基、较低烷氧羰基较低烷基、氨基较低烷基、羧基较低烷基、胍基、硫脲基、较低烷基磺酰氨基、氨基羰基较低烷基、烯丙氧羰基甲基或羰氧基较低烷基；W'为二价的W。这些化合物具有抗病毒活性、抗炎活性，并且是PAF抑制剂。

  公开号：

  US04851423A1
• 作为产物：
  描述：

  1,6-二溴己烷 、 2-氯-4-甲氧基苯酚 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 4-[(6-溴己基)氧基]-3-氯苯甲醚
  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

• Antiviral aryloxyalkylpyrazoles
  申请人：Sterling Drug Inc.

  公开号：US04171365A1

  公开（公告）日：1979-10-16

  4-(Aryloxyalkyl)pyrazoles of the formula ##STR1## useful as antiviral agents, are prepared by reacting the corresponding diketones of the formula Ar--O--Alk--CH(COR')COR" with hydrazine or a substituted hydrazine H.sub.2 NNHR. Mono- or bis-pyrazoles are similarly obtained from bis-diketones of the formula ##STR2##

  公式为##STR1##的4-(芳氧烷基)吡唑类化合物可作为抗病毒剂，通过将对应的Ar--O--Alk--CH(COR')COR"的二酮与肼或取代肼H.sub.2 NNHR反应制备而成。从公式##STR2##的双二酮类化合物中也可以类似地获得单个或双吡唑类化合物。
• Synthesis of some phosphonates with antiherpetic activity
  作者：G. D. Diana、E. S. Zalay、U. J. Salvador、F. Pancic、B. Steinberg

  DOI：10.1021/jm00371a024

  日期：1984.5

  Several keto phosphonates, phosphonoacetates , and dialkyl phosphonates containing (aryloxy)aryl groups were synthesized and evaluated for antiherpteic activity. Two of the most active compounds, 12 and 16, were evaluated topically in the mouse vaginal model against herpes simplex virus (HSV) type 2. Compound 16 exhibited an increased survival rate, as well as increased survival time. Evaluation of

  合成了几种含（芳氧基）芳基的酮基膦酸酯，膦酸酯，和二烷基膦酸酯，并评估了其抗疱疹活性。在小鼠阴道模型中针对2型单纯疱疹病毒（HSV）局部评估了活性最高的两种化合物12和16。化合物16的存活率提高了，存活时间也增加了。在豚鼠皮肤试验中针对HSV-2进行的评估中有16项评估导致病毒效价以及平均囊泡评分降低。
• Isoxazoles as antiviral agents
  申请人：Sterling Drug Inc.

  公开号：US04451476A1

  公开（公告）日：1984-05-29

  Compounds of the formulas: ##STR1## wherein R is alkyl, X is O or CH.sub.2, n is an integer from 4 to 8, and Ar is phenyl or substituted phenyl are useful as antiviral agents especially against picornaviruses.

  具有以下化学式的化合物：##STR1## 其中R是烷基，X是O或CH.sub.2，n是4到8之间的整数，Ar是苯或取代苯，对抗病毒特别是对抗小RNA病毒具有很好的作用。
• Arylalkyl and aryloxyalkyl phosphonates and use as antiviral agents
  申请人：Sterling Drug Inc.

  公开号：US04182759A1

  公开（公告）日：1980-01-08

  Arylalkyl and aryloxyalkylphosphonates, useful as antiviral agents, are prepared by reacting an arylalkyl or aryloxyalkyl halide with a trialkyl phosphite, or with an alkali metal salt of a dialkyl phosphonate, trialkyl phosphonoalkanoate or dialkyl phosphonoalkanone.

  芳基烷基和芳氧烷基膦酸酯，作为抗病毒剂有用，通过将芳基烷基或芳氧烷基卤化物与三烷基膦酸酯，或与二烷基膦酸酯、三烷基膦酸酯烷酸酯或二烷基膦酸酯烷酮的碱金属盐反应而制备。
• 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。