(+/-)-1-Chlor-2-methyl-4-phenyl-butan | 4912-91-8

• 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: (+/-)-1-Chlor-2-methyl-4-phenyl-butan
• 英文别名: Benzene, [4-chloro-3-methylbutyl]；(4-chloro-3-methylbutyl)benzene
• CAS: 4912-91-8
• 化学式: C₁₁H₁₅Cl
• 分子量: 182.693
• InChiKey: QVCQBXBVPKFMPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  异戊基苯 在 氯 作用下， 以 四氯化碳 为溶剂， 反应 0.08h， 生成 (+/-)-1-Chlor-2-methyl-4-phenyl-butan 、 (3-methylbutyl)-4-chlorobenzene 、 (1-chloro-3-methylbutyl)benzene
  参考文献：
  名称：

  摘要：

  By an example of previously uncharacterized products obtained by alkylarenes radical chlorination was demonstrated that combination of various interpretation methods applied to the retention indices (RI) in the gas chromatography on the standard nonpolar phases (comparison of RI of products and initial compounds, characteristics of succession of the chromatographic elution of the structural isomers with the use of estimation of molecular dynamic parameters, application of the additive schemes to RI calculation, and using of structural analogy CH3<----> Cl for testing the results obtained) permitted unambiguous identification of the structure even without data of mass spectrometry.

  DOI：

  10.1023/a:1012343416008

文献信息

• ——
  作者：I.G. Zenkevich

  DOI：10.1023/a:1012343416008

  日期：——

  By an example of previously uncharacterized products obtained by alkylarenes radical chlorination was demonstrated that combination of various interpretation methods applied to the retention indices (RI) in the gas chromatography on the standard nonpolar phases (comparison of RI of products and initial compounds, characteristics of succession of the chromatographic elution of the structural isomers with the use of estimation of molecular dynamic parameters, application of the additive schemes to RI calculation, and using of structural analogy CH3<----> Cl for testing the results obtained) permitted unambiguous identification of the structure even without data of mass spectrometry.