1-phenyl-1-heptene-4-one | 65248-47-7

• 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: 1-phenyl-1-heptene-4-one
• 英文别名: 1-Phenylhept-1-en-4-one
• CAS: 65248-47-7
• 化学式: C₁₃H₁₆O
• 分子量: 188.269
• InChiKey: XBXPFILBLYLYMF-UHFFFAOYSA-N

物化性质

• 沸点：
  316.6±21.0 °C(Predicted)
• 密度：
  0.972±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  (hepta-1,3-dien-1-yl)benzene 在 [Ru(2,6-Cl₂tpp)Cl₂] 、 2,6-二氯吡啶N-氧化物 作用下， 以 氘代氯仿 为溶剂， 反应 5.0h， 以87%的产率得到1-phenyl-1-heptene-4-one
  参考文献：
  名称：

  Ruthenium(IV) porphyrin catalyzed highly selective oxidation of internal alkenes into ketones with Cl2pyNO as terminal oxidant

  摘要：

  A new method for the conversion of internal alkenes into ketones without cleavage of C=C bond by using dichlororuthenium(IV) meso-tetrakis(2,6-dichlorophenyl)porphyrin [Ru-IV(TDCPP)Cl-2] as catalyst and 2,6-dichloropyridine N-oxide(Cl(2)pyNO) as oxidant is developed. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.01.098

文献信息

• ELECTROREDUCTIVE ACYLATION OF BENZYL CHLORIDE AND RELATED COMPOUNDS WITH ACID CHLORIDES
  作者：Tatsuya Shono、Ikuzo Nishiguchi、Hiroshi Ohmizu

  DOI：10.1246/cl.1977.1021

  日期：1977.9.5

  The electroreduction of benzyl chloride and related compounds in the presence of acid chlorides gave alkyl benzyl ketones in moderate yields. The controlled potential electrolysis suggests that the electron transfer from the cathode to benzyl chloride yielding an anionic species is the initiation step of this reductive acylation.

  在酰氯存在下，苄基氯和相关化合物的电还原得到中等产率的烷基苄基酮。受控电位电解表明电子从阴极转移到苄基氯产生阴离子物质是该还原酰化的起始步骤。
• Ruthenium(IV) porphyrin catalyzed highly selective oxidation of internal alkenes into ketones with Cl2pyNO as terminal oxidant
  作者：Zhi-Ming Wang、Xue-Ling Sang、Chi-Ming Che、Jian Chen

  DOI：10.1016/j.tetlet.2014.01.098

  日期：2014.3

  A new method for the conversion of internal alkenes into ketones without cleavage of C=C bond by using dichlororuthenium(IV) meso-tetrakis(2,6-dichlorophenyl)porphyrin [Ru-IV(TDCPP)Cl-2] as catalyst and 2,6-dichloropyridine N-oxide(Cl(2)pyNO) as oxidant is developed. (C) 2014 Elsevier Ltd. All rights reserved.