2-(4-n-pentylphenyl)-3-phenylpropan-2-one | 950508-69-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-(4-n-pentylphenyl)-3-phenylpropan-2-one
• 英文别名: 1-(4-Pentylphenyl)-3-phenylpropan-2-one；1-(4-pentylphenyl)-3-phenylpropan-2-one
• CAS: 950508-69-7
• 化学式: C₂₀H₂₄O
• 分子量: 280.41
• InChiKey: HEHQRPMAGJOGRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 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：

  2-(4-n-pentylphenyl)-3-phenylpropan-2-one 在 Sodium tetraborate decahydrate 、 硼酸三钠 作用下， 以 水 为溶剂， 反应 0.5h， 生成 1-methyl-4-[(4-pentylphenyl)methyl]benzene 、 、 1-pentyl-4-(2-phenylethyl)benzene
  参考文献：
  名称：

  Making a Difference on Excited-State Chemistry by Controlling Free Space within a Nanocapsule:  Photochemistry of 1-(4-Alkylphenyl)-3-phenylpropan-2-ones

  摘要：

  The free space within a reaction cavity plays a determining role during the excited-state reaction of 1-(4-alkylphenyl)-3-phenylpropan-2-ones included within a capsule formed by two molecules of a deep cavity cavitand. By controlling the free space within the reaction cavity through remote alkyl substitution on the reactant ketone it is possible to control the yield of the rearrangement product shown above.

  DOI：

  10.1021/ol0713990
• 作为产物：
  描述：

  4-戊基苯甲酰氯 在 sodium tetrahydroborate 、 硫酸 、 sodium 、 三溴化硼 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 5.5h， 生成 2-(4-n-pentylphenyl)-3-phenylpropan-2-one
  参考文献：
  名称：

  Making a Difference on Excited-State Chemistry by Controlling Free Space within a Nanocapsule:  Photochemistry of 1-(4-Alkylphenyl)-3-phenylpropan-2-ones

  摘要：

  The free space within a reaction cavity plays a determining role during the excited-state reaction of 1-(4-alkylphenyl)-3-phenylpropan-2-ones included within a capsule formed by two molecules of a deep cavity cavitand. By controlling the free space within the reaction cavity through remote alkyl substitution on the reactant ketone it is possible to control the yield of the rearrangement product shown above.

  DOI：

  10.1021/ol0713990

文献信息

• Making a Difference on Excited-State Chemistry by Controlling Free Space within a Nanocapsule:  Photochemistry of 1-(4-Alkylphenyl)-3-phenylpropan-2-ones
  作者：Arun Kumar Sundaresan、V. Ramamurthy

  DOI：10.1021/ol0713990

  日期：2007.8.1

  The free space within a reaction cavity plays a determining role during the excited-state reaction of 1-(4-alkylphenyl)-3-phenylpropan-2-ones included within a capsule formed by two molecules of a deep cavity cavitand. By controlling the free space within the reaction cavity through remote alkyl substitution on the reactant ketone it is possible to control the yield of the rearrangement product shown above.