2,3,6-三溴-4,5-二甲基苯酚 | 63113-36-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2,3,6-三溴-4,5-二甲基苯酚
• 英文名称: 2,3,6-tribromo-4,5-dimethylphenol
• 英文别名: 2,5,6-tribromo-3,4-dimethylphenol；2,3,6-tribromo-4,5-dimethyl-phenol；3.5.6-Tribrom-4-hydroxy-o-xylol；2,3,6-Tribrom-4,5-dimethyl-phenol；3.5.6-Tribrom-4-oxy-1.2-dimethyl-benzol；2.5.6-Tribrom-asymm.-o-xylenol
• CAS: 63113-36-0
• 化学式: C₈H₇Br₃O
• 分子量: 358.855
• InChiKey: VGULMKREYUOBPS-UHFFFAOYSA-N

物化性质

• 熔点：
  173-174 °C
• 沸点：
  312.9±37.0 °C(Predicted)
• 密度：
  2.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3,6-三溴-4,5-二甲基苯酚 在 水 、 硝酸 作用下， 以 四氯化碳 为溶剂， 生成 2,5,6-tribromo-4-hydroxy-3,4-dimethylcyclohexa-2,5-dienone
  参考文献：
  名称：

  Brittain, Judith M.; Calvert, David J.; Mare, Peter B.D. de la, Journal of the Chemical Society. Perkin transactions II, 1984, p. 2005 - 2012

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二甲基苯酚 在 溴 作用下， 生成 2,3,6-三溴-4,5-二甲基苯酚
  参考文献：
  名称：

  THE ACTION OF NITROUS ACID ON CERTAIN HALOGENATED SUBSTITUTION PRODUCTS OF 2,5-, 3,4- AND 3,5- DIMETHYLPHENOLS

  摘要：

  DOI：

  10.1021/jo01217a005

文献信息

• Olefin polymerization catalyst system useful for polar monomers
  申请人：Baugh Sauders Lisa

  公开号：US20070197751A1

  公开（公告）日：2007-08-23

  This invention relates to copolymers produced by a polymerization method comprising contacting at least one olefin monomer, at least one polar monomer, an optional activator, and a catalyst compound represented by the formula: wherein M is selected from groups 3-11 of the periodic table; L 1 represents a formal anionic ligand, L 2 represents a formal neutral ligand, a is an integer greater than or equal to 1; b is greater than or equal to 0; c is greater than or equal to 1, E is nitrogen or phosphorus, Ar 0 is arene, R 1 -R 4 are, each independently, selected from hydrogen, hydrocarbyl, substituted hydrocarbyl or functional group, provided however that R 3 and R 4 do not form a naphthyl ring, N is nitrogen and O is oxygen.

  本发明涉及通过聚合方法制备的共聚物，该方法包括接触至少一种烯烃单体、至少一种极性单体、可选的活化剂和催化剂化合物。该催化剂化合物的化学式为：其中M从周期表的3-11组中选择；L1表示正离子配体，L2表示中性配体，a是大于等于1的整数；b大于等于0；c大于等于1；E是氮或磷，Ar0是芳烃，R1-R4分别选择自氢、烃基、取代烃基或功能基，但R3和R4不形成萘环，N是氮，O是氧。
• Jacobsen, Chemische Berichte, 1878, vol. 11, p. 28
  作者：Jacobsen

  DOI：——

  日期：——
• Understanding Solid/Solid Organic Reactions
  作者：Gadi Rothenberg、Andrew P. Downie、Colin L. Raston、Janet L. Scott

  DOI：10.1021/ja0034388

  日期：2001.9.1

  The concept of an organic reaction between two macroscopic solid particles is investigated. Thus, we study several reactions that have been recently reported to proceed "in the solid phase" and clearly show that, in most cases, grinding the two solid reactants together results in the formation of a liquid phase. This is true both for catalytic transformations (e.g., aldol condensations and oligomerization of benzylic compounds) and for noncatalytic reactions (Baeyer-Villiger oxidations, oxidative coupling of naphthols using iron chloride, condensation of amines and aldehydes to form azomethines, homo-etherification of benzylic alcohols using p-toluenesulfonic acid, and nuclear aromatic bromination with NBS). This liquefaction implies the existence of a eutectic mixture with T-fusion below ambient temperature (although both reagents have higher than ambient melting points). In cases where heating is required, it is again clear that a phase change (from solid to liquid) occurs, explaining the observed reaction kinetics. On the basis of 19 experimental examples, we discuss the possibility of solid-phase organic reactions and the implications of these findings to the reaction between two solid reagents. A general description of such reactive systems is proposed. based on a consideration of the potential for eutectic (or peritectic) formation between the constituents of the liquid phases that arise during the process of mechanical mixing of the solid reagents and products.
• Auwers, Justus Liebigs Annalen der Chemie, 1906, vol. 344, p. 179
  作者：Auwers

  DOI：——

  日期：——
• Auwers; Burrows, Chemische Berichte, 1899, vol. 32, p. 3041
  作者：Auwers、Burrows

  DOI：——

  日期：——