2-bromo-1,3-di-tert-butylbenzene | 19715-32-3

• 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-bromo-1,3-di-tert-butylbenzene
• 英文别名: 2,6-di-t-butylbromobenzene；1-Brom-2,6-di-tert-butyl-benzol；2,6-Di-tert-butylbrombenzol；2-bromo-1,3-ditert-butylbenzene
• CAS: 19715-32-3
• 化学式: C₁₄H₂₁Br
• 分子量: 269.225
• InChiKey: WVNGSNHHAXMXAM-UHFFFAOYSA-N

物化性质

• 沸点：
  264.2±9.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 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-bromo-1,3-di-tert-butylbenzene 在 溴 作用下， 以 various solvent(s) 为溶剂， 反应 10.0h， 以63%的产率得到2,5-dibromo-1,3-di-tert-butylbenzene
  参考文献：
  名称：

  Preparation and Properties of Phosphaethynes Bearing Bulky Aryl Groups with Electron-Donating Substituents at the Para Position

  摘要：

  Phosphaethynes bearing a 2,6-di-tert-butyl-4-(dimethylamino)phenyl, 2,6-di-tert-butyl-4-methoxyphenyl, or 2,6-di-tert-butylphenyl group were prepared. A P-31 NMR spectroscopic investigation of the chemical shifts indicated that electron-donating groups at the para position cause shifts to a higher field. Bathochromic shifts caused by the electron-donating groups were apparently observed in UV-vis spectra. The structure of 2-[2,6-di-tert-butyl-4-(dimethylamino)phenyl]-1-phosphaethyne was analyzed by X-ray crystallography.

  DOI：

  10.1021/jo049571q
• 作为产物：
  描述：

  1-溴-2,4,6-三叔丁基苯 在 硝酸 作用下， 以 溶剂黄146 为溶剂， 生成 2-bromo-1,3-di-tert-butylbenzene
  参考文献：
  名称：

  Yoshifuji, Masaaki; Sasaki, Shigeru; Shiomi, Daisuke, Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 49/50, p. 325 - 328

  摘要：

  DOI：

文献信息

• [EN] PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES<br/>[FR] COMPOSÉS PYRROLOSULFONAMIDES POUR LA MODULATION DE L'ACTIVITÉ DU RÉCEPTEUR ORPHELIN GAMMA APPARENTÉ AU RÉCEPTEUR NUCLÉAIRE ORPHELIN RAR (ROR-GAMMA, NR1F3) ET POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES CHRONIQUES ET AUTO-IMMUNES
  申请人：PHENEX PHARMACEUTICALS AG

  公开号：WO2012139775A1

  公开（公告）日：2012-10-18

  The invention provides modulators for the orphan nuclear receptor RORy and methods for treating RORy mediated diseases by administrating these novel RORy modulators to a human or a mammal in need thereof. Specifically, the present invention provides pyrrolo sulfonamide compounds of Formula (1) and the enantiomers, diastereomers, tautomers, solvates and pharmaceutically acceptable salts thereof.

  本发明提供了针对孤儿核受体RORγ的调节剂，以及通过向需要的人类或哺乳动物施用这些新型的RORγ调节剂来治疗RORγ介导的疾病的方法。具体而言，本发明提供了式(1)的吡咯磺酰胺化合物及其对映体、非对映体、互变异构体、溶剂化物和药用可接受的盐。
• Lubricating compositions containing ashless catalytic antioxidant additives
  申请人：Patil Abhimanyu O.

  公开号：US20070265178A1

  公开（公告）日：2007-11-15

  The invention comprises lubricating compositions and hydraulic fluids containing N,N′-diaryl-o-phenylenediamine compounds that impart good levels of oxidation inhibition in the lubricants and hydraulic fluids. The invention further comprises a method of making N,N′-diaryl-o-phenylenediamine compounds.

  本发明包括含有N,N′-二芳基-邻-苯二胺化合物的润滑组合物和液压油，这些化合物在润滑剂和液压油中提供了良好的氧化抑制作用。本发明还涉及一种制造N,N′-二芳基-邻-苯二胺化合物的方法。
• Preparation and Properties of Sterically Protected Diphosphene and Fluorenylidenephosphine Bearing the 2,6-Di-<i>tert</i>-butyl-4-methoxyphenyl Group
  作者：Kozo Toyota、Subaru Kawasaki、Akitake Nakamura、Masaaki Yoshifuji

  DOI：10.1246/cl.2003.430

  日期：2003.5

  A new bulky bromobenzene, 2-bromo-1,3-di-tert-butyl-5-methoxybenzene, was prepared and utilized to preparations of the corresponding diphosphene and fluorenylidenephosphine including low-coordinate phosphorus atom(s). An electronic perturbation of the p-methoxy group in the system was indicated by UV–vis spectra and 31P NMR chemical shifts.

  制备了一种新的大块溴苯，2-溴-1,3-二-叔丁基-5-甲氧基苯，并用于制备相应的二膦和含低配位磷原子的芴基膦。紫外-可见光谱和 31 P NMR 化学位移表明系统中对甲氧基的电子扰动。
• The Electronic Effects of Bulky Aryl Substituents on Low Coordinated Phosphorus Atoms in Diphosphenes and Phosphaalkenes by Functionalization at the Para Position
  作者：Subaru Kawasaki、Akitake Nakamura、Kozo Toyota、Masaaki Yoshifuji

  DOI：10.1246/bcsj.78.1110

  日期：2005.6

  The electronic effects of bulky aryl substituents on low coordinated phosphorus atom(s) in diphosphenes and phosphaalkenes have been examined by means of functionalization at the para position of the substituents. Bulky bromobenzenes bearing an electron-donating or electron-withdrawing group at the para position were prepared as precursors of the substituents and some of them were applied to preparations

  大芳基取代基对二膦和磷烯烃中低配位磷原子的电子效应已通过取代基的对位官能化进行了研究。制备了在对位带有给电子或吸电子基团的大块溴苯作为取代基的前体，并将其中的一些用于制备相应的二膦和带有低配位磷原子的芴基（苯基）膦. UV-vis光谱和3 1 PNMR化学位移表明系统中对位取代基的电子扰动。这些观察结果可归因于大芳基取代基对低配位磷原子的孤对电子特性引起的影响。
• A versatile preparation of 2,6-Di-t-butylbromobenzene. Application to steric protection for organophosphorus compounds in low coordination states
  作者：Masaaki Yoshifuji、Takashi Niitsu、Daisuke Shiomi、Naoki Inamoto

  DOI：10.1016/s0040-4039(01)80586-4

  日期：1989.1

  2,6-Di-t-butylbromobenzene (5) was prepared from 2,4,6-tri-t-butyl-bromobenzene by ipso nitration followed by reduction of the nitro group and deamination. The diphosphene (8) and 1,3-diphosphaallene (10) were prepared.

  由2,4,6-三叔丁基溴苯经ipso硝化，然后还原硝基并进行脱氨基反应制得2,6-二叔丁基溴苯（5）。制备了二膦（8）和1，3-二磷杂亚环（10）。