methyl <4-(2'-(2''-(1'',3''-dioxanyl)))phenyl>-2-butenoate | 143912-85-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl <4-(2'-(2''-(1'',3''-dioxanyl)))phenyl>-2-butenoate
• 英文别名: methyl 4-[2-(1,3-dioxan-2-yl)phenyl]but-2-enoate
• CAS: 143912-85-0
• 化学式: C₁₅H₁₈O₄
• 分子量: 262.306
• InChiKey: PXGDQHDEFTWTBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  methyl <4-(2'-(2''-(1'',3''-dioxanyl)))phenyl>-2-butenoate 在 2,3,5-三甲基吡啶 、 四溴化碳 、 二异丁基氢化铝 、 三苯基膦 作用下， 以 二氯甲烷 、 甲苯 、 苯 为溶剂， 反应 50.33h， 生成 <2'-(2''-(1'',3''-dioxanyl))phenyl>but-2-enyl triphenylphosphonium bromide
  参考文献：
  名称：

  The synthesis of a porphyrin with a hydrocarbon encapsulated face

  摘要：

  The uniquely hydrocarbon-like capped porphyrin (C70H68N4), 1i, has been successfully prepared by a high dilution reaction of pyrrole with tetrakis-1,2,4,5-[pentyl-5'-(2"-formylphenyl)]-benzene 1h in the presence of boron trifluoride etherate. The aldehyde 1h was prepared by four simultaneous Wittig condensations of a phosphonium salt, 1e, with 1,2,4,5-tetraformylbenzene, followed by reduction of the double bonds with Raney nickel and deprotection with perchloric acid.

  DOI：

  10.1016/s0040-4020(01)96191-5
• 作为产物：
  描述：

  2-甲酰基苯乙醛 在 对甲苯磺酸 作用下， 以 甲苯 、 乙腈 、 苯 为溶剂， 反应 3.0h， 生成 methyl <4-(2'-(2''-(1'',3''-dioxanyl)))phenyl>-2-butenoate
  参考文献：
  名称：

  The synthesis of a porphyrin with a hydrocarbon encapsulated face

  摘要：

  The uniquely hydrocarbon-like capped porphyrin (C70H68N4), 1i, has been successfully prepared by a high dilution reaction of pyrrole with tetrakis-1,2,4,5-[pentyl-5'-(2"-formylphenyl)]-benzene 1h in the presence of boron trifluoride etherate. The aldehyde 1h was prepared by four simultaneous Wittig condensations of a phosphonium salt, 1e, with 1,2,4,5-tetraformylbenzene, followed by reduction of the double bonds with Raney nickel and deprotection with perchloric acid.

  DOI：

  10.1016/s0040-4020(01)96191-5

文献信息

• The synthesis of a porphyrin with a hydrocarbon encapsulated face
  作者：Wayne F.K. Schnatter、Örn Almarsson、Thomas C. Bruice

  DOI：10.1016/s0040-4020(01)96191-5

  日期：1991.10

  The uniquely hydrocarbon-like capped porphyrin (C70H68N4), 1i, has been successfully prepared by a high dilution reaction of pyrrole with tetrakis-1,2,4,5-[pentyl-5'-(2"-formylphenyl)]-benzene 1h in the presence of boron trifluoride etherate. The aldehyde 1h was prepared by four simultaneous Wittig condensations of a phosphonium salt, 1e, with 1,2,4,5-tetraformylbenzene, followed by reduction of the double bonds with Raney nickel and deprotection with perchloric acid.