1-[[3-[Bis[3-[[3-[bis(4-tert-butylphenyl)-ethoxymethyl]phenyl]-(4-tert-butylphenyl)-ethoxymethyl]phenyl]-ethoxymethyl]phenyl]-[3-[bis(4-tert-butylphenyl)-ethoxymethyl]phenyl]-ethoxymethyl]-4-tert-butylbenzene | 132885-71-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 1-[[3-[Bis[3-[[3-[bis(4-tert-butylphenyl)-ethoxymethyl]phenyl]-(4-tert-butylphenyl)-ethoxymethyl]phenyl]-ethoxymethyl]phenyl]-[3-[bis(4-tert-butylphenyl)-ethoxymethyl]phenyl]-ethoxymethyl]-4-tert-butylbenzene
• CAS: 132885-71-3
• 化学式: C₁₄₇H₁₇₆O₇
• 分子量: 2055.01
• InChiKey: QCOATHOPEKQJDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  39.3
• 重原子数：
  154
• 可旋转键数：
  44
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-[[3-[Bis[3-[[3-[bis(4-tert-butylphenyl)-ethoxymethyl]phenyl]-(4-tert-butylphenyl)-ethoxymethyl]phenyl]-ethoxymethyl]phenyl]-[3-[bis(4-tert-butylphenyl)-ethoxymethyl]phenyl]-ethoxymethyl]-4-tert-butylbenzene 在 氘代甲醇-d 、 lithium 作用下， 生成 4,4',4'',4''',4'''',4'''''-(((((methanetriyl-d)tris(benzene-3,1-diyl))tris((4-(tert-butyl)phenyl)methylene-d))tris(benzene-3,1-diyl))tris(methanetriyl-d))hexakis(tert-butylbenzene)
  参考文献：
  名称：

  Synthesis of 1,3-connected polyarylmethanes

  摘要：

  1,3-Connected polyarylmethanes were synthesized using repetitive additions of aryllithiums to carbonyl compounds. The polyarylmethanes with molecular mass up to 2900 amu were purified by chromatography and characterized using FABMS, NMR, and elemental analyses. FABMS and 2D COSY NMR were found particularly useful in characterization of large polyarylmethanes.

  DOI：

  10.1021/jo00007a054
• 作为产物：
  描述：

  氯甲酸乙酯 、 1-[bis(4-tert-butylphenyl)-ethoxymethyl]-3-[(3-bromophenyl)-(4-tert-butylphenyl)-ethoxymethyl]benzene 、 碳酸二甲酯 生成 1-[[3-[Bis[3-[[3-[bis(4-tert-butylphenyl)-ethoxymethyl]phenyl]-(4-tert-butylphenyl)-ethoxymethyl]phenyl]-ethoxymethyl]phenyl]-[3-[bis(4-tert-butylphenyl)-ethoxymethyl]phenyl]-ethoxymethyl]-4-tert-butylbenzene
  参考文献：
  名称：

  Synthesis of 1,3-connected polyarylmethanes

  摘要：

  1,3-Connected polyarylmethanes were synthesized using repetitive additions of aryllithiums to carbonyl compounds. The polyarylmethanes with molecular mass up to 2900 amu were purified by chromatography and characterized using FABMS, NMR, and elemental analyses. FABMS and 2D COSY NMR were found particularly useful in characterization of large polyarylmethanes.

  DOI：

  10.1021/jo00007a054

文献信息

• RAJCA, ANDRZEJ, J. ORG. CHEM., 56,(1991) N, C. 2557-2563
  作者：RAJCA, ANDRZEJ

  DOI：——

  日期：——