1-(4-hexyl-phenyl)-propan-1-one | 79219-16-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-hexyl-phenyl)-propan-1-one
• 英文别名: 1-(4-Hexyl-phenyl)-propan-1-on；1-(4-Hexylphenyl)propan-1-one
• CAS: 79219-16-2
• 化学式: C₁₅H₂₂O
• 分子量: 218.339
• InChiKey: NRSLKKPSVPOIBM-UHFFFAOYSA-N

物化性质

• 沸点：
  325.0±21.0 °C(Predicted)
• 密度：
  0.923±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(4-hexyl-phenyl)-propan-1-one 在 盐酸 、 sodium periodate 、 对叔丁基邻苯二酚 、 碳酸氢钠 作用下， 以 甲醇 、 水 、 乙酸乙酯 为溶剂， 反应 75.0h， 生成 6-<<<-2-cyclohexen-1-yl>amino>carbonyl>oxy>-N,N,N-trimethyl-1-hexanaminium bromide
  参考文献：
  名称：

  Diels-Alder reactions of a surfactant 1,3-diene

  摘要：

  The ability of aqueous micelles and reversed micelles to control the regiochemistry of Diels-Alder reactions of (E,E)-6-[[[[4-[(4-hexylphenyl)sulfonyl]-1,3-butadienyl]amino] carbonyl]oxy]-N,N,N-trimethyl-1-hexanaminium bromide (4) and 1-(4-hexylphenyl)-2-propen-1-one (2b) was evaluated. If 2b and 4 were to react within the micelles in their preferred orientations, cycloadduct 10 would result, as opposed to 6-[[[[cis-6-(4-hexylbenzoyl)-cis-4-[(4-hexylphenyl)sulfonyl]-2-cyclohexen-1-yl]amino]carbonyl]oxy]-N,N,N-trimethyl-1-hexanaminium bromide (7b) and its exo isomer 8b, the theoretically predicted products actually obtained. The orientational effects in the aggregates were not strong enough to overcome the reaction's intrinsically preferred regiochemistry.

  DOI：

  10.1021/jo00007a041
• 作为产物：
  描述：

  己基苯 、 丙酰氯 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 生成 1-(4-hexyl-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

• NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS
  申请人：MetCalf, III Chester A.

  公开号：US20100184649A1

  公开（公告）日：2010-07-22

  The present invention relates to novel lipopeptide compounds, pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The compounds of the invention are particularly useful against a variety of bacteria, including resistant strains. The compounds are useful as antibacterial agents against Clostridium difficile.

  本发明涉及新型脂肽化合物，这些化合物的药物组合物以及使用这些化合物作为抗菌化合物的方法。本发明的化合物特别适用于对抗各种细菌，包括耐药菌株。这些化合物可用作抗Clostridium difficile的抗菌剂。
• Photosensitive compositions containing carbonylic halides as activators
  申请人：Dynachem Corporation

  公开号：EP0005379A2

  公开（公告）日：1979-11-14

  Compositions containing a polymerizable, curable or crosslinkable component. a photoinitiator, a colorformer capable of changing color upon contact with a suitable activator and a latent activator containing an organic halide will become insoluble and change color under the influence of actinic radiation. The organic halide is a carbonylic compound such as an aliphatic or cycloaliphatic ketone or an ester or amide of a dicarboxylic acid. The compositions are useful to make resists used in the electronics industry to manufacture printed circuits.

  含有可聚合、可固化或可交联成分、光引发剂、与适当活化剂接触后能变色的着色剂和含有有机卤化物的潜在活化剂的组合物，在光辐射的影响下会变得不溶解并变色。 有机卤化物是一种羰基化合物，如脂肪族或环脂族酮或二羧酸的酯或酰胺。 这些组合物可用于制造电子工业中用于制造印刷电路的抗蚀剂。
• Phototropic photosensitive compositions containing a fluoran colorformer
  申请人：Dynachem Corporation

  公开号：EP0005380A2

  公开（公告）日：1979-11-14

  Compositions containing a polymerizable, curable or crosslinkable component, a photoinitiator, a fluoran colorformer and a latent activator that releases or promotes the release of a Lewis acid, will become insoluble and change color under the influence of actinic radiation. These compositions are particularly useful to make dry film photoresists, which are widely used in the electronics industry to manufacture printed circuits.

  含有可聚合、可固化或可交联成分、光引发剂、荧光显色剂和可释放或促进释放路易斯酸的潜在活化剂的组合物，在光辐射的影响下会变得不溶解并改变颜色。这些成分特别适用于制造干膜光阻，干膜光阻在电子工业中广泛用于制造印刷电路。
• Beger, J.; Thielemann, C., Journal fur praktische Chemie (Leipzig 1954), 1981, vol. 323, # 1, p. 137 - 148
  作者：Beger, J.、Thielemann, C.

  DOI：——

  日期：——
• Inhibitors of the Interaction of a Thyroid Hormone Receptor and Coactivators:  Preliminary Structure−Activity Relationships
  作者：Leggy A. Arnold、Aaron Kosinski、Eva Estébanez-Perpiñá、R. Kiplin Guy

  DOI：10.1021/jm070556y

  日期：2007.11.1

  The modulation of gene regulation by blocking the interaction between the thyroid receptor (TR) and obligate coregulators has been reported recently with the discovery of the lead compound 3-(dimethylamino)-1-(4-hexylphenyl)propan-1-one). Herein we report studies aimed at optimization of this initial hit to determine the basic parameters of the structure -activity relationships and clarify the mechanism of action. These studies provided new insights, showing that activity and TR beta isoform selectivity is highly correlated with the structural composition of these covalent inhibitors.