2-methyl-3-phenyl-2-butyl per(2-phenylpropionate) | 1258005-56-9

• 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-phenyl-2-butyl per(2-phenylpropionate)
• CAS: 1258005-56-9
• 化学式: C₂₀H₂₄O₃
• 分子量: 312.409
• InChiKey: HBVOGLLYUZAPDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-methyl-3-phenyl-2-butyl per(2-phenylpropionate) 、 对苯醌 生成 4-(1-苯基乙氧基)苯酚
  参考文献：
  名称：

  The reaction of α-phenethyl radicals with 1,4-benzoquinone and 2,6-di-tert-butyl-1,4-benzoquinone

  摘要：

  The absolute rate constant for 1,4-benzoquinone (BQ) irreversibly trapping alpha-phenethyl radicals (3) has been determined as 4.4 x 10(6) M-1 s(-1) 43 degrees C using acyclic cis azoalkane 9c as a radical precursor. These reactants afford the hydroquinone mono ether 4 at 30 degrees C but a mixture of products at elevated temperature. 2,6-Di-tert-butyl-1,4-benzoquinone (DTBQ) also reacts with 3 but the cyclohexadienone products are thermally labile. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.09.034
• 作为产物：
  描述：

  2-苯基丙酰氯 、 2-methyl-3-phenyl-but-2-yl hydroperoxide 在 potassium hydroxide 作用下， 以 水 、 正戊烷 、 二氯甲烷 为溶剂， 反应 3.5h， 生成 2-methyl-3-phenyl-2-butyl per(2-phenylpropionate)
  参考文献：
  名称：

  The reaction of α-phenethyl radicals with 1,4-benzoquinone and 2,6-di-tert-butyl-1,4-benzoquinone

  摘要：

  The absolute rate constant for 1,4-benzoquinone (BQ) irreversibly trapping alpha-phenethyl radicals (3) has been determined as 4.4 x 10(6) M-1 s(-1) 43 degrees C using acyclic cis azoalkane 9c as a radical precursor. These reactants afford the hydroquinone mono ether 4 at 30 degrees C but a mixture of products at elevated temperature. 2,6-Di-tert-butyl-1,4-benzoquinone (DTBQ) also reacts with 3 but the cyclohexadienone products are thermally labile. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.09.034