2-n-Hexynyl-3-isopropoxy-4-phenyl-2-cyclobutenone | 161642-45-1

• 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-n-Hexynyl-3-isopropoxy-4-phenyl-2-cyclobutenone
• 英文别名: 2-Hex-1-ynyl-4-phenyl-3-propan-2-yloxycyclobut-2-en-1-one
• CAS: 161642-45-1
• 化学式: C₁₉H₂₂O₂
• 分子量: 282.382
• InChiKey: GWRSOMALEKONRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-n-Hexynyl-3-isopropoxy-4-phenyl-2-cyclobutenone 以 甲苯 为溶剂， 反应 1.0h， 以87%的产率得到2-n-Hexynyl-3-isopropoxynaphthol
  参考文献：
  名称：

  Regioselective Synthesis of Highly Substituted Naphthols

  摘要：

  2,3,4-Trisubstituted 4-hydroxy-2-cyclobutenones, prepared by regiospecific synthesis of substituted cyclobutenediones, undergo Lewis acid facilitated ionization to cyclobutenyl cations, which are trapped by trialkylsilanes in a regioselective sense. Thermolysis of the resulting cyclobutenones affords phenols in high yields.

  DOI：

  10.1021/jo00108a029
• 作为产物：
  描述：

  2-n-Hexynyl-3-isopropoxy-4-phenyl-4-hydroxy-2-cyclobutenone 在 三乙基硅烷 、 三氟化硼乙醚 作用下， 生成 2-n-Hexynyl-3-isopropoxy-4-phenyl-2-cyclobutenone
  参考文献：
  名称：

  Stereocontrolled Synthesis of 3-Acyl-4-alkoxy-5-aryl-1,2,4(E)-pentatrienes and Their Subsequent Electrocyclization to Naphthalenes

  摘要：

  DOI：

  10.1021/jo00116a005

文献信息

• Stereocontrolled Synthesis of 3-Acyl-4-alkoxy-5-aryl-1,2,4(E)-pentatrienes and Their Subsequent Electrocyclization to Naphthalenes
  作者：Philip Turnbull、Harold W. Moore

  DOI：10.1021/jo00116a005

  日期：1995.6
• Turnbull Philip, Moore Harold W., J. Org. Chem, 60 Nr.3 (1995) , S 644-649
  作者：Turnbull Philip, Moore Harold W.

  DOI：——

  日期：——
• Regioselective Synthesis of Highly Substituted Naphthols
  作者：Philip Turnbull、Harold W. Moore

  DOI：10.1021/jo00108a029

  日期：1995.2

  2,3,4-Trisubstituted 4-hydroxy-2-cyclobutenones, prepared by regiospecific synthesis of substituted cyclobutenediones, undergo Lewis acid facilitated ionization to cyclobutenyl cations, which are trapped by trialkylsilanes in a regioselective sense. Thermolysis of the resulting cyclobutenones affords phenols in high yields.