3-<4-(n-Decyloxy)phenyl>pentane-2,4-dione | 163929-92-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-<4-(n-Decyloxy)phenyl>pentane-2,4-dione
• 英文别名: 3-(4'-n-decyloxyphenyl)pentane-2,4-dione；3-(4-Decoxyphenyl)pentane-2,4-dione
• CAS: 163929-92-8
• 化学式: C₂₁H₃₂O₃
• 分子量: 332.483
• InChiKey: SNZCKEGWCJYAMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  24
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-<4-(n-Decyloxy)phenyl>pentane-2,4-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以89%的产率得到4-<4-(n-Decyloxy)phenyl>-3,5-dimethylpyrazole
  参考文献：
  名称：

  Synthesis of 3-Substituted Pentane-2,4-Diones: Valuable Intermediates For Liquid Crystals

  摘要：

  General procedures for the synthesis of six series of 3-substituted pentane-2,4-diones are described. The diones mere used as intermediates in the preparation of pyrazoles, isoxazoles, and coordination complexes whose mesogenic properties have been studied. Nematic and smectic phases have been obtained in a number of cases, and the relationship between molecular structure and mesogenic properties has been explored.

  DOI：

  10.1021/jo00115a023
• 作为产物：
  描述：

  乙酰丙酮 在 palladium on activated charcoal copper(l) iodide 、 氢气 、 potassium carbonate 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 3-<4-(n-Decyloxy)phenyl>pentane-2,4-dione
  参考文献：
  名称：

  On the Parity in Helical Twisting Power of Ru(III) 1,3-Diketonates of C₂ Symmetry in Nematic Liquid Crystals

  摘要：

  It is demonstrated that the sign of helical twisting power (HTP) of an enantiomeric Ru(III) complex of type [Ru(acac)(2)L] can be switched by choosing L from either L-per or L-para, which is elongated either perpendicular or parallel to the C-2 symmetry axis, and four states become available in combination with Delta Lambda-chirality of the metal center. Complexes 1-n, in which 4,4'-dialkoxylated dibenzoylmethanate ligands are used as L-per, and 2 having L-para = 3-(4'-decyloxyphenyl)pentane-2,4-dionate ligand were prepared for this purpose. They were optically resolved into the enantiomers by means of a clay column chromatography, and their performance as chiral dopants was evaluated in nematic liquid crystals including a room-temperature system, N-methoxybenzylidene-4-n-butylaniline (MBBA), which allowed facile measurements of the helical pitch lengths and CID spectra in the induced chiral nematic states. The induced CID signals have provided a clear evidence for the helical inversion between the two structure types, 1 and 2, of the same chirality. The twisting power of these six-coordinate metal complexes and their structure versus twist sense correlations are interpreted by the shape model. Intrinsically high HTP of Delta-[Ru(acac)(2)L-per] has also allowed for observation of the pitch band due to the selective reflection in the visible wavelength range at the doping level of 2 mol % in MBBA.

  DOI：

  10.1021/ja042549u