1-(4-tert-butylcyclohex-1-en-1-yl)-4-methylbenzene | 93725-77-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-(4-tert-butylcyclohex-1-en-1-yl)-4-methylbenzene
• 英文别名: 1-(4-t-butylcyclohex-1-enyl)-4-methylbenzene；4-t-butyl-1-(4-methylphenyl)cyclohexene；4-tert.-Butyl-1-(tol-4-yl)-cyclohexen；1-(4'-tert-butylcyclohex-1-enyl)-4-methylbenzene；1-(4-Tert-butylcyclohexen-1-yl)-4-methylbenzene
• CAS: 93725-77-0
• 化学式: C₁₇H₂₄
• 分子量: 228.378
• InChiKey: LNWHEFPLKUZYMC-UHFFFAOYSA-N

物化性质

• 熔点：
  67-69 °C
• 沸点：
  315.8±22.0 °C(Predicted)
• 密度：
  0.934±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  1-(4-tert-butylcyclohex-1-en-1-yl)-4-methylbenzene 在 硫酸 、 硝酸 作用下， 以 乙酸酐 为溶剂， 生成 4-tert.-Butyl-6-trans-nitro-1-(tol-4-yl)-cyclohexen
  参考文献：
  名称：

  Conformations. I. Synthesis, Proton Magnetic Resonance Spectra, and Ultraviolet Spectra of Substituted 1-Phenylcyclohexenes

  摘要：

  DOI：

  10.1021/jo01059a027
• 作为产物：
  描述：

  1-(1-Azido-4-tert-butyl-2-iodo-cyclohexyl)-4-methyl-benzene 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以91%的产率得到1-(4-tert-butylcyclohex-1-en-1-yl)-4-methylbenzene
  参考文献：
  名称：

  Sivasubramanian; Ponnuswamy; Muthusubramanian, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1996, vol. 35, # 1, p. 77 - 78

  摘要：

  DOI：

文献信息

• Well-Defined Air-Stable Palladium HASPO Complexes for Efficient Kumada-Corriu Cross-Couplings of (Hetero)Aryl or Alkenyl Tosylates
  作者：Lutz Ackermann、Anant R. Kapdi、Sabine Fenner、Christoph Kornhaaß、Carola Schulzke

  DOI：10.1002/chem.201002386

  日期：2011.3.1

  Palladium complexes of representative heteroatom‐substituted secondary phosphine oxide (HASPO) preligands were synthesized and fully characterized, including X‐ray crystal structure analysis. Importantly, these well‐defined complexes served as highly efficient catalysts for Kumada–Corriu cross‐coupling reactions of aryl, alkenyl, and even heteroaryl tosylates. Particularly, an air‐stable catalyst derived

  代表的钯络合物ħ etero一汤姆取代小号econdary p hosphine ø西德（HASPO）preligands合成并充分表征，包括X射线晶体结构分析。重要的是，这些定义明确的络合物可作为Kumada-Corriu芳基，烯基乃至杂芳基甲苯磺酸酯交叉偶联反应的高效催化剂。特别是，由廉价的PinP（O）H衍生的空气稳定型催化剂显示出极高的催化效力，这导致在极低的反应条件下，在足够宽泛的反应条件下，低催化剂负载下的交叉偶联。
• Atom-Efficient Vinylic Arylations with Triarylbismuths as Substoichiometric Multicoupling Reagents under Palladium Catalysis
  作者：Maddali L. N. Rao、Deepak N. Jadhav、Varadhachari Venkatesh

  DOI：10.1002/ejoc.200900487

  日期：2009.9

  The first atom-efficient arylation of vinylic iodides was achieved by using triarylbismuths as substoichiometric multicoupling reagents under palladium catalysis. Vinylic iodides were efficiently coupled with electronically divergent triarylbismuths to furnish the corresponding arylated products in short reaction times. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

  通过在钯催化下使用三芳基铋作为亚化学计量的多偶联试剂，实现了乙烯基碘的第一个原子有效芳基化。乙烯基碘化物与电子发散的三芳基铋有效偶联，以在较短的反应时间内提供相应的芳基化产物。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
• Synthesis of 7a-aryl-5-<i>t</i>-butyl-3-methyleneoctahydrobenzofuran possessing partial skelotons of some santonin analogue and furanolignans by intramolecular radical cyclisation reaction
  作者：Marappagounder Periasamy、Alagusundaram Ponnuswamy

  DOI：10.1002/jhet.5570440422

  日期：2007.7

  octahydrobenzofuran derivatives (1c-6c) possessing the partial skeletons of santonin (7), 11,13-dehydroisohyposantonin (8), dihydrosesamin (9) and lariciresinol (10) have been synthesised by intramolecular radical cyclisation in good yield via the precursors viz., the trans diaxial bromopropynyl ethers (1b-6b) obtained in highly regio/stereoselective manner.

  双环octahydrobenzofuran衍生物（1C-6C具有山道年的部分骨架）（7），11,13-dehydroisohyposantonin（8），dihydrosesamin（9）和落叶松（10）已经通过以良好的收率的分子内环化基团的合成通过前体即。，以高度区域/立体选择性的方式获得的反式双轴溴丙炔醚（1b-6b）。
• Palladium-catalyzed cross-coupling reaction of organoboron compounds with organic triflates
  作者：Takayuki Ohe、Norio Miyaura、Akira Suzuki

  DOI：10.1021/jo00060a041

  日期：1993.4

  The cross-coupling reaction of 9-alkyl-9-borabicyclo[3.3.1]nonane (9-R-9-BBN), 1-alkenyl-1,3,2-benzodioxaborole, or aryl boronic acid with 1-alkenyl or aryl triflates in the presence of K3PO4 (1.5 equiv) and a catalytic amount of Pd(PPh3)4 or Cl2Pd(dppf) resulted in high yields. The reaction conditions are sufficiently mild so that a variety of functionalized alkenes, alkadienes, and arenes are readily obtained. The utility of the present reaction was demonstrated by the cyclization of omega-alkenyl triflates leading to a benzo-fused cycloalkene and bicyclic alkene via a hydroboration-intramolecular coupling sequence.
• Pd-Catalyzed Cross-Coupling Reactions with Carbonyls: Application in a Very Efficient Synthesis of 4-Aryltetrahydropyridines
  作者：José Barluenga、María Tomás-Gamasa、Patricia Moriel、Fernando Aznar、Carlos Valdés

  DOI：10.1002/chem.200800390

  日期：2008.5.29