1-(4-pentyloxy-phenyl)-propan-1-one | 5736-93-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-pentyloxy-phenyl)-propan-1-one
• 英文别名: 1-Pentyloxy-4-(1-oxo-propyl)-benzol；1-[4-(Pentyloxy)phenyl]propan-1-one；1-(4-pentoxyphenyl)propan-1-one
• CAS: 5736-93-6
• 化学式: C₁₄H₂₀O₂
• 分子量: 220.312
• InChiKey: QRRSJSLMUXXYCK-UHFFFAOYSA-N

物化性质

• 熔点：
  15-16 °C
• 沸点：
  155-159 °C(Press: 11 Torr)
• 密度：
  0.968±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-pentyloxy-phenyl)-propan-1-one 在 盐酸 、 亚硝酸丁酯 作用下， 以 甲醇 为溶剂， 反应 14.0h， 以71%的产率得到2-hydroxyimino-1-(4-pentyloxyphenyl)-propan-1-one
  参考文献：
  名称：

  烷基芳族 1,2-羟基氨基肟的 Z 异构体与 1,2-二酮的反应

  摘要：

  在伯或仲碳原子上含有羟基氨基的烷基芳族 1,2-羟基氨基肟的 Z 异构体与双乙酰反应得到 6-乙酰-5,6-二氢-4H-1,2,5-恶二嗪。这些化合物与烷基芳族 1,2-二酮的反应产生 N-取代的 α-芳酰基硝酮或 6-芳酰基-5,6-二氢-4H-1,2,5-恶二嗪或它们的互变异构混合物。

  DOI：

  10.1007/s11172-006-0374-0
• 作为产物：
  描述：

  4-羟基苯丙酮 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 生成 1-(4-pentyloxy-phenyl)-propan-1-one
  参考文献：
  名称：

  5-Aryl-imidazolin-2-ones as a scaffold for potent antioxidant and memory-improving activity

  摘要：

  A series of 5-phenyl-substituted-N-alkyl-imidazolin-2-ones with potent radical-scavenging activity and lipid peroxidation inhibitory activity was synthesized. Many of the compounds showed memory-improving effect in animal models independent of the inhibitory activity on lipid peroxidation. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.064

文献信息

• Preparation of highly enantiomerically pure linear secondary alcohols via asymmetric reduction of prochiral ketones with borane
  作者：Jiaxi Xu、Xianbin Su、Qihan Zhang

  DOI：10.1016/s0957-4166(03)00373-2

  日期：2003.7

  alcohols, via the asymmetric oxazaborolidine-catalyzed borane reduction of prochiral ketones is described. The phenomenon of the enantioselectivity of 1-(4-alkoxylphenyl) alcohols lower than that of 1-(4-alkylphenyl) alcohols was found and rationalized to the coordination of the oxygen atom in the alkoxy groups to the catalyst and borane. Based on the rationale, the enantioselectivity of 1-(4-alkoxylphenyl)

  描述了通过不对称的恶唑硼烷催化的手性酮的硼烷还原，有效和实用地制备手性直链仲醇，1-（4-烷基苯基）和1-（4-烷氧基苯基）醇的方法。发现1-（4-烷氧基苯基）醇的对映选择性低于1-（4-烷基苯基）醇的对映选择性的现象，并被合理化为烷氧基中的氧原子与催化剂和硼烷的配位。基于上述原理，随着催化剂量的增加，1-（4-烷氧基苯基）醇在不对称还原中的对映选择性得到提高。
• Effect of Temperature on the Enantioselectivity in the Oxazaborolidine-Catalyzed Asymmetric Reduction of Ketones. Noncatalytic Borane Reduction, a Nonneglectable Factor in the Reduction System
  作者：Xu、Wei、Zhang

  DOI：10.1021/jo035203v

  日期：2003.12.1

  The effect of temperature on the enantioselectivity of the oxazaborolidine-catalyzed asymmetric borane reduction of ketones has been investigated carefully using alkyl aryl ketones with a variety of functional groups and a B-methoxyoxazaborolidine derived from trimethyl borate and (S)-alpha,alpha-diphenylprolinol as a catalyst. The reductions were carried out over a range of temperatures in THF and

  使用具有各种官能团的烷基芳基酮和衍生自硼酸三甲酯和（S）-α，α-二苯基脯氨酸的B-甲氧基恶唑硼烷仔细研究了温度对恶唑硼烷催化的不对称硼烷还原酮的对映选择性的影响。作为催化剂。在有或没有催化剂的情况下，在THF和甲苯中的一定温度范围内进行还原。通过GC分析确定酮向醇的转化率，还原速率随着有或没有催化剂的反应温度的升高而增加。但是，催化还原的速率比没有催化剂的速率增加得更快。结果表明，非催化硼烷还原是还原中对映选择性的重要因素。
• HANNIG; SCHOBESS, Pharmazie, 1960, vol. 15, p. 615 - 617
  作者：HANNIG、SCHOBESS

  DOI：——

  日期：——
• [EN] ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTIBACTÉRIENS
  申请人：UNIV QUEENSLAND

  公开号：WO2015117196A1

  公开（公告）日：2015-08-13

  The invention concerns agents with antibacterial activity, their production and use in the treatment of bacterial infections in animals, including man. The agents are derivatives of vancomycin- type antibiotics, of structure X-W-L-V, wherein X is hydrogen, acetyl or a lipophilic membrane-insertive element, W is a basic peptide or basic amino acid; L is a linking group and V is a glycopeptide moiety which inhibits peptidoglycan biosynthesis in bacteria.
• 5-Aryl-imidazolin-2-ones as a scaffold for potent antioxidant and memory-improving activity
  作者：Kazutoshi Watanabe、Yasuhiro Morinaka、Yoshio Hayashi、Masaki Shinoda、Hiroyoshi Nishi、Nobuko Fukushima、Toshiaki Watanabe、Akira Ishibashi、Satoshi Yuki、Masahiko Tanaka

  DOI：10.1016/j.bmcl.2007.12.064

  日期：2008.2

  A series of 5-phenyl-substituted-N-alkyl-imidazolin-2-ones with potent radical-scavenging activity and lipid peroxidation inhibitory activity was synthesized. Many of the compounds showed memory-improving effect in animal models independent of the inhibitory activity on lipid peroxidation. (c) 2008 Elsevier Ltd. All rights reserved.