2,8,14,20-tetraheptylpentacyclo[19.3.1.1(3,7).1(9.13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-6,10,12,16,18,22,24,4-tetraisobutyl borate | 182935-45-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2,8,14,20-tetraheptylpentacyclo[19.3.1.1(3,7).1(9.13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-6,10,12,16,18,22,24,4-tetraisobutyl borate
• 英文别名: 2,8,14,20-tetraheptylpentacyclo[19.3.1.1(3,7).1(9,13),1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-6,10,12,16,18,22,24,4-tetraisobutylborate
• CAS: 182935-45-1
• 化学式: C₇₂H₁₀₈B₄O₁₂
• 分子量: 1208.89
• InChiKey: HXCFJEUBXIBUFG-CTFKYTAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.68
• 重原子数：
  88.0
• 可旋转键数：
  36.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  110.76
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  2,8,14,20-tetraheptylpentacyclo[19.3.1.1(3,7).1(9.13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-6,10,12,16,18,22,24,4-tetraisobutyl borate 、 异丁胺 以 苯 为溶剂， 以80%的产率得到tetraisobutylamine complex of 2,8,14,20-tetraheptylpentacyclo[19.3.1.1(3,7).1(9,13),1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-6,10,12,16,18,22,24,4-tetraisobutylborate
  参考文献：
  名称：

  Borylation of calix[4]resorcinols under ultrasonic irradiation

  摘要：

  The use of ultrasonic irradiation in the reactions of trialkyl borates with octahydroxytetraoctyl[l (4)] metacyclophane allowed us obtaining tetraalkoxyboratocavitands with higher yields and under milder conditions. We first obtained 1,3,2-dioxaborolane and 1,3,2-dioxaborinane derivatives of tetraoctyl[l (4)]metacyclophane using ultrasonic irradiation. Boratocavitands were converted into the corresponding amine complexes with isobutylamine.

  DOI：

  10.1134/s107036321205009x
• 作为产物：
  描述：

  三异丁基硼酸 、 C-heptylcalix[4]resorcinarene 以 甲苯 为溶剂， 反应 0.75h， 以85%的产率得到2,8,14,20-tetraheptylpentacyclo[19.3.1.1(3,7).1(9.13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-6,10,12,16,18,22,24,4-tetraisobutyl borate
  参考文献：
  名称：

  Borylation of calix[4]resorcinols under ultrasonic irradiation

  摘要：

  The use of ultrasonic irradiation in the reactions of trialkyl borates with octahydroxytetraoctyl[l (4)] metacyclophane allowed us obtaining tetraalkoxyboratocavitands with higher yields and under milder conditions. We first obtained 1,3,2-dioxaborolane and 1,3,2-dioxaborinane derivatives of tetraoctyl[l (4)]metacyclophane using ultrasonic irradiation. Boratocavitands were converted into the corresponding amine complexes with isobutylamine.

  DOI：

  10.1134/s107036321205009x