3,4-二乙基-3,4-二苯基己烷 | 62678-48-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 3,4-二乙基-3,4-二苯基己烷
• 英文名称: 3,4-diethyl-3,4-diphenyl-hexane
• 英文别名: 3,4-Diaethyl-3,4-diphenyl-hexan；3,4-Diethyl-3,4-diphenylhexane；(3,4-diethyl-4-phenylhexan-3-yl)benzene
• CAS: 62678-48-2
• 化学式: C₂₂H₃₀
• 分子量: 294.48
• InChiKey: PYJRTMLRHSXSLS-UHFFFAOYSA-N

物化性质

• 熔点：
  42-44 °C
• 沸点：
  370.4±12.0 °C(Predicted)
• 密度：
  0.929±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  22
• 可旋转键数：
  7
• 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

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3,4-二乙基-3,4-二苯基己烷 在 十四烷 、 苯硫酚 作用下， 生成 3-苯基戊烷
  参考文献：
  名称：

  Kratt, Guenter; Beckhaus, Hans-Dieter; Ruechardt, Christoph, Chemische Berichte, 1984, vol. 117, # 5, p. 1748 - 1764

  摘要：

  DOI：
• 作为产物：
  描述：

  3-苯基-3-戊醇 在 氢溴酸 、 溶剂黄146 、 锌 作用下， 生成 3,4-二乙基-3,4-二苯基己烷
  参考文献：
  名称：

  Ziegler; Deparade, Justus Liebigs Annalen der Chemie, 1950, vol. 567, p. 123,136

  摘要：

  DOI：

文献信息

• A Novel C−C Single Bond Formation by Use of Ketones, Alkylmagnesium Bromide, and Low-Valent Vanadium in the Presence of a Catalytic Amount of Molecular Oxygen
  作者：Yasutaka Kataoka、Hiroaki Akiyama、Isamu Makihira、Kazuhide Tani

  DOI：10.1021/jo9610725

  日期：1996.1.1
• A Novel C−C Single-Bond Formation Accompanying C−O Bond Cleavage by Use of a Ketone, an Alkylating Reagent, and a Low-Valent Vanadium Complex in the Presence of a Catalytic Amount of Molecular Oxygen
  作者：Yasutaka Kataoka、Hiroaki Akiyama、Isamu Makihira、Kazuhide Tani

  DOI：10.1021/jo971164+

  日期：1997.11.1

  A C-C single-bond-forming reaction from ketones with accompanying C-O bond cleavage mediated by a RMgBr or RLi-vanadium(II)-O-2 system has been accomplished. Different from conventional reductive coupling reactions of ketones such as the McMurry coupling, the present method forms a C-C single (instead of a double) bond and yields a product that contains components derived from the ketone and the alkylating reagent in a one-pot reaction. Collaboration of both a low-valent vanadium(II) species and a higher-valent vanadium species produced from vanadium(II) and a catalytic amount of O-2 effects the abstraction of the oxygen atom from a C-O bond.
• Direct construction of quaternary carbons from carbonyl compounds utilizing low-valent vanadium complexes
  作者：Yasutaka Kataoka、Isamu Makihira、Hiroaki Akiyama、Kazuhide Tani

  DOI：10.1016/s0040-4020(97)00632-7

  日期：1997.7

  Direct geminal diallylation of a carbonyl compound with allyl bromide has been achieved in the presence of a low-valent vanadium complex and zinc. The diallylation has been found to proceed stepwise and the two allyl groups were introduced successively. By applying this method, one-pot synthesis of asymmetric quaternary carbons has been accomplished. As the first alkylating reagent a combination of allyl bromide and zinc, a Grignard reagent, or an alkyllithium can be used. The second one should be the combination of a low-valent vanadium(II) complex and allyl bromide, benzyl bromide, or propargyl bromide. Strong oxophilicity of the low-valent vanadium facilitated the deoxygenative allylation. (C) 1997 Elsevier Science Ltd.
• Kratt, Guenter; Beckhaus, Hans-Dieter; Lindner, Hans Joerg, Chemische Berichte, 1983, vol. 116, # 9, p. 3235 - 3263
  作者：Kratt, Guenter、Beckhaus, Hans-Dieter、Lindner, Hans Joerg、Ruechardt, Christoph

  DOI：——

  日期：——
• Transition-state polarization in cleavage of carbon-carbon bonds in radical anions
  作者：Przemyslaw Maslak、Javier N. Narvaez、Jozef Kula、David S. Malinski

  DOI：10.1021/jo00302a017

  日期：1990.7