4-bromo-1,2,3,5-tetramethylbenzene | 3349-15-3

• 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: 4-bromo-1,2,3,5-tetramethylbenzene
• 英文别名: 2,3,4,6-tetramethyl-bromobenzene；2-bromo-1,3,4,5-tetramethyl-benzene；2-Brom-1,3,4,5-tetramethyl-benzol；1-Brom-2,3,4,6-tetramethyl-benzol；1,2,3,5-tetramethyl-6-brombenzol；2-Brom-1,3,4,5-tetramethylbenzol；2-Bromo-1,3,4,5-tetramethylbenzene
• CAS: 3349-15-3
• 化学式: C₁₀H₁₃Br
• 分子量: 213.117
• InChiKey: OYAFABIVQFUGMR-UHFFFAOYSA-N

物化性质

• 沸点：
  125.7-126.1 °C(Press: 13 Torr)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  4-bromo-1,2,3,5-tetramethylbenzene 在 丙酮 、 sodium iodide 作用下， 生成 3-bromo-2,4,5,6-tetramethyl-benzyl iodide
  参考文献：
  名称：

  Polymethylbenzenes. XXVI. The Nitration of Bromopentamethylbenzene

  摘要：

  DOI：

  10.1021/ja01863a006
• 作为产物：
  描述：

  1,2,3,5-四甲基苯 在 溴 、 碘 、 溶剂黄146 作用下， 生成 4-bromo-1,2,3,5-tetramethylbenzene
  参考文献：
  名称：

  Oxidation Processes. XII.¹ The Autoxidation of Hydroquinone and of the Mono-, Di- and Trimethylhydroquinones

  摘要：

  DOI：

  10.1021/ja01276a020

文献信息

• PREPARATION OF AROMATIC IODIDES FROM BROMIDES VIA THE REVERSE HALOGEN EXCHANGE
  作者：Hitomi Suzuki、Akiko Kondo、Takuji Ogawa

  DOI：10.1246/cl.1985.411

  日期：1985.3.5

  Aromatic bromides undergo halogen exchange reaction with iodide ion in the presence of copper(I) iodide in hot hexamethylphosphoric triamide, to give the corresponding iodides in good to moderate yields.

  在碘化铜 (I) 存在下，芳香族溴化物与碘离子在热六甲基磷酰三胺中发生卤素交换反应，以良好到中等的收率得到相应的碘化物。
• An increment system for deuterium isotope effects on13C chemical shifts of methylated benzenes
  作者：Stefan Berger、Bernd W. K. Diehl

  DOI：10.1002/mrc.1260241210

  日期：1986.12

  The complete series of all possible benzenes bearing one deuterium atom and one to five methyl groups was synthesized. The deuterium isotope effects on the carbon chemical shifts of the aromatic and aliphatic carbon atoms were measured and shown to obey an empirical increment system. The isotope effects over one bond correlate with the C,H spin coupling constants.

  合成了带有一个氘原子和一到五个甲基的所有可能的苯的完整系列。测量了氘同位素对芳香族和脂肪族碳原子的碳化学位移的影响，并显示出遵循经验增量系统。一个键上的同位素效应与 C,H 自旋耦合常数相关。
• Orientation of the Products from the Nitration of Halopentamethylbenzenes
  作者：Hitomi Suzuki

  DOI：10.1246/bcsj.43.481

  日期：1970.2

  5-Halo-2,3,4,6-tetramethyl- and 6-halo-2,3,4,5-tetramethylbenzyl nitrate were the principal products. 4-Halo-2,3,5,6-tetramethylbenzyl nitrate was never formed in any significant amount. The orientation was consistent with the previously suggested mechanistic scheme. PMR spectral data for nine halotetramethylbenzyl chlorides and nitrates have been presented.

  已经研究了发烟硝酸对氯五甲基苯、溴五甲基苯和碘五甲基苯的作用。主要产品为硝酸5-卤-2,3,4,6-四甲基-及6-卤-2,3,4,5-四甲基苄基硝酸酯。4-Halo-2,3,5,6-四甲基苄基硝酸盐从未以任何显着量形成。方向与先前建议的机械方案一致。已经提供了九种卤代四甲基苄基氯和硝酸盐的 PMR 光谱数据。
• Syntheses of Diiodo and Triiodo Derivatives of 1,2,3-Trimethylbenzene (<i>Hemimellitene</i>) and 1,2,4-Trimethylbenzene (<i>Pseudocumene</i>). A Convenient Use of Polyiodo Derivatives for the Characterization of Polyalkylbenzenes and Their Derivatives
  作者：Hitomi Suzuki、Yasuhiro Haruta

  DOI：10.1246/bcsj.46.589

  日期：1973.2

  A complete set of diiodo and triiodo derivatives of 1,2,3-trimethylbenzene and 1,2,4-trimethylbenzene has been prepared and their physical properties are recorded. Use of polyiodo derivatives as a means for characterizing polyalkylbenzenes and their derivatives has been proposed.

  制备了一套完整的1,2,3-三甲基苯和1,2,4-三甲基苯的二碘和三碘衍生物并记录了它们的物理性质。已经提出使用多碘衍生物作为表征多烷基苯及其衍生物的手段。
• DRUG COMBINATIONS COMPRISING A DGAT INHIBITOR AND A PPAR-AGONIST
  申请人：Janssen Pharmaceutica NV

  公开号：US20150320741A1

  公开（公告）日：2015-11-12

  The present invention relates to combinations of a DGAT inhibitor and a peroxisome proliferator-activator receptor (PPAR) agonist or a prodrug thereof. The invention further relates to methods for preparing such combinations, pharmaceutical compositions comprising said combinations as well as the use as a medicament of said combinations. The present invention also relates to novel DGAT inhibitors. The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicament of said compounds.

  本发明涉及DGAT抑制剂和过氧化物酶体增殖激活受体（PPAR）激动剂或其前药的组合物。本发明还涉及制备这种组合物的方法，包含该组合物的制药组合物以及该组合物作为药物的用途。本发明还涉及新型DGAT抑制剂。本发明还涉及制备这种化合物的方法，包含该化合物的制药组合物以及该化合物作为药物的用途。