1,2-dimethyl-4-(1,1-dimethyl-2-chloroethyl)benzene | 92849-09-7

• 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: 1,2-dimethyl-4-(1,1-dimethyl-2-chloroethyl)benzene
• 英文别名: 4-(2-chloro-1,1-dimethylethyl)-1,2-dimethylbenzene；4-(Chlor-tert.-butyl)-1,2-dimethyl-benzol；Benzene, 1,2-dimethyl-4-(2-chloro-1,1-dimethylethyl)；4-(1-chloro-2-methylpropan-2-yl)-1,2-dimethylbenzene
• CAS: 92849-09-7
• 化学式: C₁₂H₁₇Cl
• 分子量: 196.72
• InChiKey: ZGZKDUYZBVTRAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2-dimethyl-4-(1,1-dimethyl-2-chloroethyl)benzene 、 3-氯-2-甲基丙烯 以67%的产率得到
  参考文献：
  名称：

  FEHR, CHARLES;GALINDO, JOSE;HAUBRICHS, ROLF;PERRET, ROLAND, HELV. CHIM. ACTA, 72,(1989) N, C. 1537-1553

  摘要：

  DOI：
• 作为产物：
  描述：

  4-叔丁基邻二甲苯 在 盐酸 、 potassium permanganate 作用下， 以 水 为溶剂， 反应 0.08h， 生成 1,2-dimethyl-4-(1,1-dimethyl-2-chloroethyl)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

• New aromatic musk odorants: Design and synthesis
  作者：Charles Fehr、Jos� Galindo、Rolf Haubiichs、Roland Perret

  DOI：10.1002/hlca.19890720716

  日期：1989.11.1

  modification of known musk odorants, new strong musk odorants have been discovered. Incorporation of supplementary CH3 or CH2 groups into the basic musk skeleton of type G only slightly modifies the global shape of the molecule but leads to densely packed structures of enhanced lipophilicity. For the construction of these highly substituted 1,2,3,4-tetrahydronaphthalenes, new annulation sequences (intramolecular

  通过对已知麝香气味剂进行适当的结构修饰，已经发现了新的强麝香气味剂。将补充的CH 3或CH 2基团掺入G型基本麝香骨架中只会稍微改变分子的整体形状，但会导致紧密堆积的亲脂性增强结构。对于这些高度取代的1,2,3,4-四氢萘的构建，已经开发了新的环空序列（分子内单烷基和二烷基化；请参见方案3,6和8），在某些情况下，还设计了靶标分子是由结构-活性-关系和综合考虑决定的（例如46和47，方案6）。这项工作也提出了一种原始溶液至分析问题：一个C之间的区别2 -和C小号-symmetrical芳香烃（即71和72）通过转化成[CR（CO）3芳烃]络合物。
• FEHR, CHARLES;GALINDO, JOSE;HAUBRICHS, ROLF;PERRET, ROLAND, HELV. CHIM. ACTA, 72,(1989) N, C. 1537-1553
  作者：FEHR, CHARLES、GALINDO, JOSE、HAUBRICHS, ROLF、PERRET, ROLAND

  DOI：——

  日期：——
• ——
  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.