ethyl 2-acetyl-8-(2-chloro-4-methoxyphenoxy)octanoate | 62509-32-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 2-acetyl-8-(2-chloro-4-methoxyphenoxy)octanoate
• 英文别名: Octanoic acid, 2-acetyl-8-(2-chloro-4-methoxyphenoxy)-, ethyl ester
• CAS: 62509-32-4
• 化学式: C₁₉H₂₇ClO₅
• 分子量: 370.873
• InChiKey: WAICTHOQAVURHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  25
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 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：

  ethyl 2-acetyl-8-(2-chloro-4-methoxyphenoxy)octanoate 、 氨基硫脲 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 4-[6-(2-chloro-4-methoxy-phenoxy)-hexyl]-5-methyl-1,2-dihydro-pyrazol-3-one
  参考文献：
  名称：

  Antiviral aryloxyalkylpyrazoles

  摘要：

  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。

  公开号：

  US04171365A1
• 作为产物：
  描述：

  2-氯-4-甲氧基苯酚 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 生成 ethyl 2-acetyl-8-(2-chloro-4-methoxyphenoxy)octanoate
  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 arylenedioxyalkyl substituted pyrazoles
  申请人：Sterling Drug Inc.

  公开号：US04209526A1

  公开（公告）日：1980-06-24

  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-(芳氧基烷基)吡唑是一种有用的抗病毒药物，通过将公式为Ar-O-Alk-CH（COR'）COR"的相应二酮与肼或取代肼H2NNHR反应制备。类似地，从公式为##STR2##的双二酮中也可以获得单个或双吡唑。
• 4-[6-(
  申请人：Sterling Drug Inc.

  公开号：US04232161A1

  公开（公告）日：1980-11-04

  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-(芳氧基烷基)吡唑可作为抗病毒剂。它们可通过将公式为Ar-O-Alk-CH(COR')COR"的相应二酮与肼或取代肼H.sub.2 NNHR反应制备。类似地，从公式为 ##STR2## 的双酮中也可以获得单或双吡唑。
• 4-[6-(2-Chloro-4-methoxyphenoxy)hexyl]
  申请人：Sterling Drug Inc.

  公开号：US04234725A1

  公开（公告）日：1980-11-18

  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-(芳氧基烷基)吡唑可作为抗病毒药物，通过将公式为 Ar--O--Alk--CH(COR')COR" 的相应二酮与肼或取代肼 H.sub.2 NNHR 反应制备。类似地，从公式为 ##STR2## 的双酮中也可获得单个或双吡唑。
• 2-Benzoyl-8-(2-chloro-4-methoxyphenoxy)-1-phenyl-1-octanone
  申请人：Sterling Drug Inc.

  公开号：US04261928A1

  公开（公告）日：1981-04-14

  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-(芳氧基烷基)吡唑类化合物，可作为抗病毒剂使用。该化合物通过将公式为Ar--O--Alk--CH(COR')COR"的相应二酮与肼或取代肼H.sub.2 NNHR反应制备而成。公式为##STR2##的双酮同样可以制备出单吡唑或双吡唑。
• US4209526A
  申请人：——

  公开号：US4209526A

  公开（公告）日：1980-06-24