2-methyl-3-(4-methylbenzyl)oxirane | 36428-70-3

• 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: 2-methyl-3-(4-methylbenzyl)oxirane
• 英文别名: 3-(4-methyl-benzyl)-2-methyl-oxirane；2-methyl-3-[(4-methylphenyl)methyl]oxirane
• CAS: 36428-70-3
• 化学式: C₁₁H₁₄O
• 分子量: 162.232
• InChiKey: BJTPCFRRRDBKNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,3-丁二烯 、 甲苯 在 磷酸 、 双氧水 、 溶剂黄146 作用下， 以 水 、 甲苯 为溶剂， 生成 2-methyl-3-(4-methylbenzyl)oxirane 、 2-methyl-3-(2-methylbenzyl)oxirane
  参考文献：
  名称：

  Hydrogen peroxide-or sodium hypochlorite-induced bromination of 1-arylbut-2-enes

  摘要：

  Bromination of 1-arylbut-2-enes in the system [HBr or NaBr (KBr)-HX]-H2O2 (or NaOCl) under relatively mild conditions leads to electrophilic addition of bromine or hypobromous acid at the side-chain double bond. Under more severe conditions, the process is accompanied by bromination of the aromatic ring. Treatment of the title compounds with peroxy acids (RCOOH-H2O2) gives the corresponding epoxy derivatives which react with HBr and oxygen-containing nucleophiles to produce alpha-bromo alcohols, diols, and diol acetates.

  DOI：

  10.1134/s1070428007110139

文献信息

• Process for producing epoxides
  申请人：SUMITOMO CHEMICAL COMPANY LIMITED

  公开号：EP0540009B1

  公开（公告）日：1995-08-30
• US5367087A
  申请人：——

  公开号：US5367087A

  公开（公告）日：1994-11-22
• US5466838A
  申请人：——

  公开号：US5466838A

  公开（公告）日：1995-11-14
• Hydrogen peroxide-or sodium hypochlorite-induced bromination of 1-arylbut-2-enes
  作者：O. A. Sadygov、Kh. M. Alimardanov

  DOI：10.1134/s1070428007110139

  日期：2007.11

  Bromination of 1-arylbut-2-enes in the system [HBr or NaBr (KBr)-HX]-H2O2 (or NaOCl) under relatively mild conditions leads to electrophilic addition of bromine or hypobromous acid at the side-chain double bond. Under more severe conditions, the process is accompanied by bromination of the aromatic ring. Treatment of the title compounds with peroxy acids (RCOOH-H2O2) gives the corresponding epoxy derivatives which react with HBr and oxygen-containing nucleophiles to produce alpha-bromo alcohols, diols, and diol acetates.