2-chloro-2,5,5-trimethylhexane | 72144-69-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 2-chloro-2,5,5-trimethylhexane
• 英文别名: 2-chloro-2,5,5-trimethyl-hexane；2-Chlor-2,5,5-trimethyl-hexan；2-Chlor-2,5,5-trimethylhexan
• CAS: 72144-69-5
• 化学式: C₉H₁₉Cl
• 分子量: 162.703
• InChiKey: NWGUWKXUBQWVBR-UHFFFAOYSA-N

物化性质

• 沸点：
  88-90 °C(Press: 60 Torr)
• 密度：
  0.8687 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 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-chloro-2,5,5-trimethylhexane 生成 盐酸
  参考文献：
  名称：

  Lewina et al., Zhurnal Obshchei Khimii, 1959, vol. 29, p. 2236,2237;engl.Ausg.S.2202,2204

  摘要：

  DOI：
• 作为产物：
  描述：

  1-溴-3-甲基-2-丁烯 在 盐酸 、 乙醚 作用下， 生成 2-chloro-2,5,5-trimethylhexane
  参考文献：
  名称：

  Lewina et al., Zhurnal Obshchei Khimii, 1959, vol. 29, p. 2236,2237;engl.Ausg.S.2202,2204

  摘要：

  DOI：

文献信息

• Die Solvoyse von 4-substituierten 2-Chlor-2-methylbutanen
  作者：Cyril A. Grob、Adrian Waldner

  DOI：10.1002/hlca.19790620614

  日期：1979.9.19

  The solvolysis of sixteen 4-substituted 2-chloro-2-methylbutanes in aqueous dioxane has been studied.

  已经研究了十六种4-取代的2-氯-2-甲基丁烷在二恶烷水溶液中的溶剂化作用。
• THERAPEUTIC DRUG FOR ADULT T-CELL LEUKEMIA
  申请人：Baba Masanori

  公开号：US20110172185A1

  公开（公告）日：2011-07-14

  An object is to provide a novel therapeutic drug for adult T-cell leukemia having an ATL cell specific antitumor effect. The therapeutic drug for adult T-cell leukemia according to the invention is characterized by containing a compound represented by the formula I or a prodrug thereof, wherein R 1 is H, OH, an alkoxy group, an acyl group, or a thioacyl group, R 2 is an acyl group, a thioacyl group, CONR 7 R 8 , or CSNR 7 R 8 (R 7 and R 8 being each independently H, an alkyl group containing 1 to 3 carbon atoms, or a phenyl group), or R 1 and R 2 together may form a ring, X 1 and X 2 may be the same or different and are each —CR 3 R 4 —, —SiR 3 R 4 — or oxygen, and R 3 and R 4 may be the same or different and are each an alkyl group containing 1 to 6 carbon atoms.

  一种提供成人T细胞白血病的新型治疗药物的对象是具有ATL细胞特异性抗肿瘤作用。根据本发明的成人T细胞白血病治疗药物的特征在于含有由式I表示的化合物或其前药， 其中R 1 为H、OH、烷氧基、酰基或硫酰基，R 2 为酰基、硫酰基、CONR 7 R 8 或CSNR 7 R 8 （R 7 和R 8 各自独立地为H、含有1至3个碳原子的烷基或苯基），或R 1 和R 2 可共同形成环，X 1 和X 2 可以相同也可以不同，分别为—CR 3 R 4 —、—SiR 3 R 4 —或氧，R 3 和R 4 可以相同也可以不同，分别为含有1至6个碳原子的烷基。
• In situ study of the interaction between tert-butyl chloride and aluminum activated with liquid In-Ga eutectic
  作者：A. B. Arbuzov、V. A. Drozdov、V. A. Likholobov、M. V. Trenikhin、V. P. Talsi、E. N. Kudrya

  DOI：10.1134/s0023158410030043

  日期：2010.6

  interaction between tert-butyl chloride and activated aluminum was studied by attenuated total reflectance Fourier transform infrared spectroscopy near room temperature (18–25°C). A long induction period of ∼240–260 min was observed. The ionic aluminum chloride complexes [Al n Cl3n+1]− (n = 1, 2) and the molecular species AlCl3 were identified at the activated aluminum/tert-butyl chloride interface during

  通过在室温（18–25°C）附近通过衰减全反射傅里叶变换红外光谱法研究了叔丁基氯与活性铝之间的相互作用。观察到很长的诱导期〜240–260分钟。在反应过程中，在活化的铝/叔丁基氯化物界面处发现了离子型氯化铝络合物[Al n Cl 3 n +1 ] -（n = 1，2）和分子种类AlCl 3。液体介质中AlCl - 4离子中离子的形成以及相同离子和分子AlCl 3 - tert的存在 通过27 Al NMR光谱法确认了反应的树脂产物中的-丁酰氯络合物。通过GC / MS定性分析反应产物。比较了活性铝和无水氯化铝在相同条件下对叔丁基氯的反应性。活化的铝和叔丁基氯相互作用的一个显着特征是AlCl - 4离子的主要形成。相比之下，氯化铝和叔丁基氯之间的相互作用产生多核离子Al 2 Cl - 7，并且可能产生Al 3 Cl - 10。
• In Situ Formation of Al(Fe)/Cl Metal Chloride Complexes and Evaluation of Their Catalytic Properties in the Reaction of Ethylene Oligomerization
  作者：A. B. Arbuzov、E. N. Kudrya、M. V. Trenikhin、V. A. Drozdov

  DOI：10.1134/s1070427217120059

  日期：2017.12

  According to FT-IR and UV spectroscopic data, the interaction of the Al/Fe alloy with tert-butyl chloride results in that AlCl4 (-), Al2Cl7 (-), and FeCl2 (+) ion complexes, Fe3+ ions, and AlCl3 molecular form are produced in situ in the reaction medium. Ethylene was oligomerized in n-hexane on metal chloride complexes produced in situ from Al/Fe alloys and tert-butyl chloride.
• γ-Silyl-stabilized tertiary ions? Solvolysis of­4-(trimethylsilyl)-2-chloro-2-methylbutane
  作者：Leon J. Tilley、V. J. Shiner

  DOI：10.1002/(sici)1099-1395(199907)12:7<564::aid-poc164>3.0.co;2-2

  日期：1999.7

  Rate constant, isotope-effect, and product studies of the solvolysis of 4-(trimethylsilyl)-2-chloro-2-methylbutane, 11, and its carbon analog, 2-chloro-2,5,5-trimethylhexane, 10, in aqueous ethanol and aqueous 2,2,2-trifluoroethanol (TFE) indicate very little participation of the gamma-silyl substituent. These results are in sharp contrast to earlier reports on secondary gamma-silyl substituted systems, in which the beck lobe of the silicon-carbon bond has been shown to overlap with the carbocation p-orbital to form a so-called 'percaudally' stabilized intermediate. While the solvolytic behaviors of 11 and 10 are nearly identical in ethanol, differences in the TFE lead to the conclusion that there is a minor amount of participation by the silyl substituent in that solvent. Interestingly, this observation lends credence to an earlier suggestion that TFE is better than ethanol at stabilizing more highly delocalized ions. Copyright (C) 1999 John Wiley st Sons, Ltd.