5,11,17,23-tetrabromo-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25)3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol | 83136-18-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5,11,17,23-tetrabromo-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25)3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
• 英文别名: 5,11,17,23-tetrabromo-2,8,14,20-tetramethylpentacyclo[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-dodecaene-4,6,10,12,16,18,22,24-octol
• CAS: 83136-18-9
• 化学式: C₃₂H₂₈Br₄O₈
• 分子量: 860.186
• InChiKey: GIKSBRYWPGDNPF-BKUVIOGVSA-N

物化性质

• 熔点：
  >360 °C (decomp)
• 沸点：
  502.3±50.0 °C(Predicted)
• 密度：
  1.852±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  44.0
• 可旋转键数：
  0.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  161.84
• 氢给体数：
  8.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  溴氯甲烷 、 5,11,17,23-tetrabromo-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25)3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol 以 二甲基亚砜 为溶剂， 反应 3.0h， 以95%的产率得到7,11,15,28-tetrabromo-1,21,23,25-tetramethyl-2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5',4'-i']benzo[1,2-d:5,4-d']bis[1,3]benzodioxocin
  参考文献：
  名称：

  Improved Synthesis of Cavitands

  摘要：

  DOI：

  10.1021/jo982218y
• 作为产物：
  描述：

  25,26,27,28-Tetramethylpentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 丁酮 为溶剂， 生成 5,11,17,23-tetrabromo-2,8,14,20-tetramethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25)3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
  参考文献：
  名称：

  Nondestructive Detection of Acetylcholine in Protic Media: Artificial-Signaling Acetylcholine Receptors

  摘要：

  DOI：

  10.1021/ja00091a085

文献信息

• Trifluoromethanesulfonic Acid-Catalyzed Synthesis of Resorcinarenes: Cyclocondensation of 2-Bromoresorcinol with Aldehydes
  作者：Osamu Morikawa、Ryoji Ueno、Kazuki Nakajima、Kazuhiro Kobayashi、Hisatoshi Konishi

  DOI：10.1055/s-2002-25765

  日期：——

  The resorcin[4]arenes bearing bromine substituents on their extraannular positions were directly prepared from 2-bromo­resorcinol with aldehydes by trifluoromethanesulfonic

  外环位置带有溴取代基的间苯二酚[4]芳烃直接通过三氟甲磺酸与醛和2-溴间苯二酚反应制备而成。
• Synthesis and Configurational Analysis of a Novel Class of Cavitands Containing Four Dioxaphosphocin Moieties
  作者：Tino Lippmann、Horst Wilde、Enrico Dalcanale、Luigi Mavilla、Gerhard Mann、Ute Heyer、Silvia Spera

  DOI：10.1021/jo00106a039

  日期：1995.1

  Synthesis, separation, and configurational analysis of diastereomeric cavitands having general structure I are described. The cavitands are obtained by incorporation of four phosphate groups on the all-cis-resorcin[4]arene. Four dioxaphosphocin rings with four stereogenic centers on the phosphorus(V) atoms are formed by bridging the eight phenolic functions. The reaction leads to all the six possible diastereoisomers having different orientations of the P=O groups either outward (o) or inward (i) with respect to the cavity. The separation of the different diastereoisomers of cavitands 3-12 was achieved by chromatographic methods and the configuration of each one elucidated with H-1, C-13, and P-31 NMR. Variation of the R(2) substituents on the phosphorus atoms was studied with the aim of a stereoselective formation of the iiii and iiio isomers which possess the best qualifications for multiple hydrogen-bonding interactions.