4-(6-bromo-hexyl)-heptane-3,5-dione | 56219-73-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(6-bromo-hexyl)-heptane-3,5-dione
• 英文别名: 4-(6-bromohexyl)-3,5-heptanedione；4-(6-Bromohexyl)heptane-3,5-dione
• CAS: 56219-73-9
• 化学式: C₁₃H₂₃BrO₂
• 分子量: 291.228
• InChiKey: SWCLWBXALDRKEJ-UHFFFAOYSA-N

物化性质

• 沸点：
  130-135 °C(Press: 0.03 Torr)
• 密度：
  1.160±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  16
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(6-bromo-hexyl)-heptane-3,5-dione 在 potassium carbonate 、 二甲胺 作用下， 以 甲醇 为溶剂， 生成 4-[6-(2-Chloro-4-hydroxy-phenoxy)-hexyl]-heptane-3,5-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：

  1,6-二溴己烷 、 3,5-庚烷二酮 以 N-甲基乙酰胺 为溶剂， 生成 4-(6-bromo-hexyl)-heptane-3,5-dione
  参考文献：
  名称：

  Arylenedioxy-bis-diketones

  摘要：

  具有以下化学式的苯二酚双酮##STR1## 的化合物可用作抗病毒剂，其制备方法为通过二元醚化反应制备二元醚苯酚，再通过β-二酮烷基化反应制备。

  公开号：

  US04096280A1

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。
• Aryloxyalkyl diketones
  申请人：Sterling Drug Inc.

  公开号：US04133959A1

  公开（公告）日：1979-01-09

  Aryloxyalkyl diketones, useful as 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二酮是一种有用的抗病毒剂，可以通过将Aryloxyalkyl卤代烷和二酮或酮酯的碱金属烯醇盐，或卤代烷基-二酮和酚的碱金属盐反应制备。
• 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。
• 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