2,2-dimethyl-4-phenylpentane | 2319-54-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-dimethyl-4-phenylpentane
• 英文别名: 2-Phenyl-4.4-dimethyl-pentan；2.2-Dimethyl-4-phenylpentan；2-phenyl-4,4-dimethyl-pentane；(1,3,3-Trimethyl-butyl)-benzene；4,4-dimethylpentan-2-ylbenzene
• CAS: 2319-54-2
• 化学式: C₁₃H₂₀
• 分子量: 176.302
• InChiKey: NGABHEZRANYPFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  2,2-dimethyl-4-phenylpentane 在 氢氧化钾 、 sodium hydroxide 、 硫酸 、 硝酸 、 tin(ll) chloride 、 lithium bromide 作用下， 反应 61.0h， 生成 4-p-N,N-diethylaminophenyl-2,2-dimethylpentane
  参考文献：
  名称：

  The effect of -substituents on the comformational behaviour of aromatic sidechains

  摘要：

  DOI：

  10.1016/s0040-4020(01)87425-1
• 作为产物：
  描述：

  三-叔丁基甲醇 、 2-苯基-1-丙烯 反应 0.17h， 生成 2,2-dimethyl-4-phenylpentane
  参考文献：
  名称：

  Thermal decomposition and dehydration of tri-tert-butylcarbinol. Competing free radical and carbonium ion reactions

  摘要：

  DOI：

  10.1021/jo00925a046

文献信息

• Radicals from the reaction of hindered t-benzyl-lithium compounds with O2
  作者：Gideon Fraenkel、Michael J. Geckle

  DOI：10.1039/c39800000055

  日期：——

  The benzylic lithium compounds produced by 1 : 1 addition of t-butyl-lithium to α-methylstyrenes react with O2 to produce radicals which undergo disproportionation via hydrogen atom transfer; these unusual results are ascribed to steric hindrance about the benzyl carbon.

  通过将叔丁基锂1：1加到α-甲基苯乙烯中而生成的苄基锂化合物与O 2反应生成自由基，该自由基通过氢原子转移发生歧化。这些不寻常的结果归因于苄基碳的位阻。
• Solvolysis of 2-Aryl-2-chloro-4,4-dimethylpentanes. Confirmation of Validity of Brown−Okamoto σ⁺ Constants
  作者：Ken'ichi Takeuchi、Masaaki Takasuka、Yasushi Ohga、Takao Okazaki

  DOI：10.1021/jo9821067

  日期：1999.4.1

  Specific rate constants of solvolysis in 90% aqueous acetone have been determined at 25 degrees C for 10 2-aryl-2-chloro-4,4-dimethylpentanes (3) having a substituent p-cycPr, p-Me, m-Me, p-F, (H), p-Cl, m-Cl, m-CF3, p-CF3, or p-NO2. The Hammett-Brown relation is satisfactorily Linear (r = 0.999) with pi of -4.51, showing that Brown-Okamoto sigma(+) values based on the solvolysis of the cumyl chloride system 1 are widely usable for the substrates solvolyzing without appreciable nucleophilic solvent participation. Solvolysis of 3 having 3,5-Cl-2 or 3,5-(CF3)(2) substituents suggests the use of sigma(+) values of +0.740 and +0.982 instead of respective 2 sigma(m)(+) values of +0.798 and +1.040. The large negative rho(+) values in TFE of -5.91 and -5.63 for 1 and 3, respectively, reflect decreased nucleophilic (or Br phi nsted base type) solvation. Comparison of solvolysis rates of 1 with 3, both having m-Cl, p-CFB, or 3,5-(CF3)(2) substituents, in aqueous ethanol, aqueous acetone, TFE, and TFE-EtOH suggests that nucleophilic intervention by solvent in the cumyl system increases as the intermediate carbocation becomes more electron-demanding.
• Influence of substituents on NMR and barriers to rotation in tert-benzyllithium compounds
  作者：Gideon Fraenkel、J. Michael Geckle

  DOI：10.1021/ja00529a001

  日期：1980.4
• Nuclear magnetic resonance studies of structure and hindered rotation in tertiary benzylic metal compounds
  作者：Gideon. Fraenkel、John G. Russell、Ying-Hsueh. Chen

  DOI：10.1021/ja00791a024

  日期：1973.5
• The effect of -substituents on the comformational behaviour of aromatic sidechains
  作者：Michael J. Cook、Tauqeer A. Khan、Khalida Nasri

  DOI：10.1016/s0040-4020(01)87425-1

  日期：1986.1