4,4,5,5-Tetramethyl-2-(20-octacyclo[19.5.2.02,7.08,25.011,24.012,17.018,23.022,26]octacosa-1(26),2,4,6,8(25),9,11(24),12,14,16,18(23),19,21,27-tetradecaenyl)-1,3,2-dioxaborolane | 1609376-61-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 4,4,5,5-Tetramethyl-2-(20-octacyclo[19.5.2.02,7.08,25.011,24.012,17.018,23.022,26]octacosa-1(26),2,4,6,8(25),9,11(24),12,14,16,18(23),19,21,27-tetradecaenyl)-1,3,2-dioxaborolane
• 英文别名: 4,4,5,5-tetramethyl-2-(20-octacyclo[19.5.2.02,7.08,25.011,24.012,17.018,23.022,26]octacosa-1(26),2,4,6,8(25),9,11(24),12,14,16,18(23),19,21,27-tetradecaenyl)-1,3,2-dioxaborolane
• CAS: 1609376-61-5
• 化学式: C₃₄H₂₅BO₂
• 分子量: 476.382
• InChiKey: POPONWKGDWTLGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.37
• 重原子数：
  37
• 可旋转键数：
  1
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [5-bromo-10,15,20-tris(3,5-di-t-butylphenyl)porphynato]nickel(II) 、 4,4,5,5-Tetramethyl-2-(20-octacyclo[19.5.2.02,7.08,25.011,24.012,17.018,23.022,26]octacosa-1(26),2,4,6,8(25),9,11(24),12,14,16,18(23),19,21,27-tetradecaenyl)-1,3,2-dioxaborolane 在 potassium phosphate 、 SPhos Pd G2 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 70.0h， 以76%的产率得到
  参考文献：
  名称：

  meso-β Dibenzo[a,g]corannulene-Fused Porphyrins

  摘要：

  FeCl3-mediated oxidative fusion of meso-linked dibenzo[a,g]corannulene porphyrin dyads 6M afforded fused porphyrins 7M bearing a five-membered ring connection, but similar oxidation of beta-linked dyads 9M provided fused porphyrins 10M bearing a six-membered ring connection, both in a regiospecific manner. While fused dyads 10M exhibit modestly red-shifted absorption and fluorescence profiles, fused dyads 7M display characteristically red-shifted absorption bands reflecting antiaromatic dehydropurpurin electronic networks.

  DOI：

  10.1021/ol501115m
• 作为产物：
  描述：

  dibenzo[a,g]corannulene 在 三溴化碘 、 PdCl₂(dppf) 、 potassium acetate 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 7.0h， 生成 4,4,5,5-Tetramethyl-2-(20-octacyclo[19.5.2.02,7.08,25.011,24.012,17.018,23.022,26]octacosa-1(26),2,4,6,8(25),9,11(24),12,14,16,18(23),19,21,27-tetradecaenyl)-1,3,2-dioxaborolane
  参考文献：
  名称：

  meso-β Dibenzo[a,g]corannulene-Fused Porphyrins

  摘要：

  FeCl3-mediated oxidative fusion of meso-linked dibenzo[a,g]corannulene porphyrin dyads 6M afforded fused porphyrins 7M bearing a five-membered ring connection, but similar oxidation of beta-linked dyads 9M provided fused porphyrins 10M bearing a six-membered ring connection, both in a regiospecific manner. While fused dyads 10M exhibit modestly red-shifted absorption and fluorescence profiles, fused dyads 7M display characteristically red-shifted absorption bands reflecting antiaromatic dehydropurpurin electronic networks.

  DOI：

  10.1021/ol501115m

文献信息

• <i>meso-β</i> Dibenzo[<i>a,g</i>]corannulene-Fused Porphyrins
  作者：Kensuke Ota、Takayuki Tanaka、Atsuhiro Osuka

  DOI：10.1021/ol501115m

  日期：2014.6.6

  FeCl3-mediated oxidative fusion of meso-linked dibenzo[a,g]corannulene porphyrin dyads 6M afforded fused porphyrins 7M bearing a five-membered ring connection, but similar oxidation of beta-linked dyads 9M provided fused porphyrins 10M bearing a six-membered ring connection, both in a regiospecific manner. While fused dyads 10M exhibit modestly red-shifted absorption and fluorescence profiles, fused dyads 7M display characteristically red-shifted absorption bands reflecting antiaromatic dehydropurpurin electronic networks.