4-(1-氯-2-甲基丙基)甲苯 | 68857-83-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(1-氯-2-甲基丙基)甲苯
• 英文名称: 2-methyl-1-(p-tolyl)propyl chloride
• 英文别名: 4-(1-Chloro-2-methylpropyl)toluene；1-(1-chloro-2-methylpropyl)-4-methylbenzene
• CAS: 68857-83-0
• 化学式: C₁₁H₁₅Cl
• 分子量: 182.693
• InChiKey: AAGFTZAYXBVFGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  12
• 可旋转键数：
  2
• 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：

  alpha-异丙基-4-甲基苄醇 在 氯化亚砜 作用下， 以 四氯化碳 为溶剂， 生成 4-(1-氯-2-甲基丙基)甲苯
  参考文献：
  名称：

  Solvolysis of 1-alkyl-1-chloro-1-(4-methyl)phenylmethanes. Nucleophilic solvent intervention and extendedYBnCl scale

  摘要：

  The solvolysis of 1-alkyl-1-chloro-1-(4-methyl)phenylmethanes (4a-d) in aqueous acetone, aqueous ethanol, aqueous methanol and ethanol-trifluoroethanol was studied. Grunwald-Winstein-type correlation analysis using the Y-BnCl scale suggests significant nucleophilic solvent intervention in the ease of 1-chloro-1-(4-methyl)phenylethane (4a). Increasing bulkiness of the 1-alkyl substituent from methyl (4a) to ethyl (4b), to isopropyl (4c) and to tert-butyl (4d) resulted in a gradual change to limiting S(N)1 mechanisms. The observed excellent linear correlations with Y-BnCl and the good solubility in high-water-containing binary solvents made 4d a suitable reference standard For deriving more Y-BnCl values. A positive azide salt effect was realized in the solvolysis of 4a but not 4d. A small decrease in the beta-deuterium kinetic Isotope effect from 4a to 1-chloro-1-(4-methoxyphenyl)propane (5) suggested the presence of additional stabilization of the benzylic cationic transition state. However, no relationship between k(CH3)/k(CD3) and the solvent effect was found. The superiority of employing the Y-BnCl scale over the combination of Y-Cl and I scales in the mehanistic study was observed. (C) 1997 John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1099-1395(199712)10:12<879::aid-poc879>3.0.co;2-k

文献信息

• Formate ester indane compounds
  申请人：Union Camp Corporation

  公开号：US05292720A1

  公开（公告）日：1994-03-08

  The present invention relates to novel formate ester indane compounds having fragrant musk-like aroma.

  本发明涉及具有芳香麝香般气味的新型甲酸酯茚烷化合物。
• Friedel-Craft reactions
  申请人：BUSH BOAKE ALLEN Limited

  公开号：EP0089207B1

  公开（公告）日：1986-09-10
• US4352748A
  申请人：——

  公开号：US4352748A

  公开（公告）日：1982-10-05
• US5292720A
  申请人：——

  公开号：US5292720A

  公开（公告）日：1994-03-08
• US5300717A
  申请人：——

  公开号：US5300717A

  公开（公告）日：1994-04-05