meso-2,2,5,5-Tetramethyl-3,4-diphenylhexane | 62678-51-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: meso-2,2,5,5-Tetramethyl-3,4-diphenylhexane
• 英文别名: meso-2,2,5,5-Tetramethyl-3,4-diphenylhexan；2,2,5,5-Tetramethyl-3,4-diphenylhexan；[(3R,4S)-2,2,5,5-tetramethyl-4-phenylhexan-3-yl]benzene
• CAS: 62678-51-7
• 化学式: C₂₂H₃₀
• 分子量: 294.48
• InChiKey: XLFQOTOILPTXKI-BGYRXZFFSA-N

物化性质

• 熔点：
  182 °C
• 沸点：
  356.7±12.0 °C(Predicted)
• 密度：
  0.930±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  meso-2,2,5,5-Tetramethyl-3,4-diphenylhexane 生成 Benzene, 1,1'-(1,2-bis(1,1-dimethylethyl)-1,2-ethanediyl)bis(4-chloro-, (R*,S*)-
  参考文献：
  名称：

  EICHIN K. H.; BECKHAUS H. D.; RUECHARDT C., TETRAHEDRON LETT., 1980, 21, NO 3, 269-272

  摘要：

  DOI：
• 作为产物：
  描述：

  1-chloro-2,2-dimethyl-1-phenylpropane 在 lithium 作用下， 以 四氢呋喃 为溶剂， 生成 meso-2,2,5,5-Tetramethyl-3,4-diphenylhexane
  参考文献：
  名称：

  Petrov,A.D. et al., Journal of general chemistry of the USSR, 1960, vol. 30, p. 2818 - 2825

  摘要：

  DOI：

文献信息

• Hellmann,G. et al., Chemische Berichte, 1979, vol. 112, p. 1808 - 1834
  作者：Hellmann,G. et al.

  DOI：——

  日期：——
• Electrochemical reduction of (1-bromo-2,2-dimethylpropyl)benzene in dimethylformamide on carbon electrodes
  作者：Albert J. Fry、Thomas A. Powers

  DOI：10.1021/jo00388a028

  日期：1987.6
• The Reaction of 2,2,5,5-Tetramethyl-3,4-diphenylhexane with D2. Stereochemical Effects in a High-Temperature Reaction
  作者：Robert D. Guthrie、Rustem V. Sharipov、Sreekumar Ramakrishnan、Buchang Shi、Burtron H. Davis

  DOI：10.1021/jo00119a030

  日期：1995.7

  The thermolysis of 2,2,5,5-tetramethyl-3,4-diphenylhexane was carried out at temperatures above 300 degrees C in the absence and presence of D-2(14 MPa). The presence of D-2 results in a greatly increased yield of the major product, neopentylbenzene. However, at higher concentrations of starting material, up to 50% of the neopentylbenzene formed avoids deuterium incorporation, an outcome believed to result partly from participation of the phenylneopentyl radical in radical disproportionation reactions. The meso-isomer of starting material produces a substantial yield of stilbene in both the absence and presence of D-2. Under D-2, 1,2-diphenylethane is produced, and it is believed that stilbene and other alkenes present serve as D atom traps producing radicals which then participate in termination by disproportionation. Remarkably, the d,l-diastereomer gives a different product distribution than the meso-isomer, giving very little stilbene or other products of tert-butyl group loss. However, both systems produce 1-phenyl-2-methyl-2-propene by methyl radical loss from the phenylneopentyl radical. The formation of such alkenes and the path to termination they provide is blamed for the absence of efficient kinetic chains involving D atoms.
• BRIGHT, D. A.;MATHISEN, D. E.;ZIEGER, H. E., J. ORG. CHEM., 1982, 47, N 18, 3521-3524
  作者：BRIGHT, D. A.、MATHISEN, D. E.、ZIEGER, H. E.

  DOI：——

  日期：——
• EICHIN, K. -H.;BECKHAUS, H. -D.;HELLMANN, S.;FRITZ, H.;PETERS, E. -M.;PET+, CHEM. BER., 1983, 116, N 5, 1787-1821
  作者：EICHIN, K. -H.、BECKHAUS, H. -D.、HELLMANN, S.、FRITZ, H.、PETERS, E. -M.、PET+

  DOI：——

  日期：——