2,6-二溴-4-甲氧基甲苯 | 14542-71-3

• 物质功能分类: 有机原料
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2,6-二溴-4-甲氧基甲苯
• 中文别名: 3,5-二溴-4-甲基苯甲醚
• 英文名称: 1,3-dibromo-2-methyl-5-methoxybenzene
• 英文别名: 2,6-dibromo-4-methoxytoluene；3,5-dibromo-4-methylanisole；1,3-dibromo-5-methoxy-2-methylbenzene；1,3-Dibrom-5-methoxy-2-methylbenzol；2,6-Dibrom-4-methoxytoluol
• CAS: 14542-71-3
• 化学式: C₈H₈Br₂O
• 分子量: 279.959
• InChiKey: BZRKRRXRNGVEIZ-UHFFFAOYSA-N

物化性质

• 沸点：
  271.1±35.0 °C(Predicted)
• 密度：
  1.727±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  储存条件：室温下干燥密封保存。

反应信息

• 作为反应物：
  描述：

  2,6-二溴-4-甲氧基甲苯 在 盐酸 、 lithium aluminium tetrahydride 、 三溴化磷 、 三氯化铁 、 magnesium 作用下， 生成 3,3'-Dibrom-5,5'-dimethoxy-2,2'-dimethyl-bibenzyl
  参考文献：
  名称：

  Aromatic Molecules Bearing Substituents within the Cavity of the π-Electron Cloud. Synthesis of trans-15,16-Dimethyldihydropyrene

  摘要：

  DOI：

  10.1021/ja00983a028
• 作为产物：
  描述：

  3,5-二溴-4-甲基苯酚 、 硫酸二甲酯 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.5h， 以83%的产率得到2,6-二溴-4-甲氧基甲苯
  参考文献：
  名称：

  WO2008/53158

  摘要：

  公开号：

文献信息

• Direct One-Pot Synthesis of Naphthoxindoles from 4-Bromooxindoles by Suzuki-Miyaura Coupling and Aldol Condensation Reactions
  作者：Kyeong-Yong Park、Bum Tae Kim、Jung-Nyoung Heo

  DOI：10.1002/ejoc.201301242

  日期：2014.1

  An efficient one-pot synthesis of naphthoxindoles by using 4-bromoindolin-2-ones and 2-formylphenylboronic acids has been developed. The coupling reaction proceeds in good to excellent yields under microwave irradiation through a Suzuki–Miyaura coupling and an aldol condensation cascade reaction. In addition, this protocol permits the facile construction of naphthoxindoles through an expanded scope

  使用 4-bromoindolin-2-ones 和 2-formylphenylboronic 酸有效地一锅合成萘并吲哚。在微波辐射下，通过 Suzuki-Miyaura 偶联和醇醛缩合级联反应，偶联反应以良好的产率进行。此外，该协议允许通过扩大的底物范围轻松构建萘并吲哚。
• (Halo-benzo carbonyl)heterocyclo fused phenyl p38 kinase inhibiting agents
  申请人：——

  公开号：US20030092712A1

  公开（公告）日：2003-05-15

  Compounds described by the chemical formula (I) or a pharmaceutically acceptable salt thereof: 1 are inhibitors of p38 useful in the treatment of inflammatory diseases such as arthritis.

  根据化学公式(I)或其药物可接受的盐描述的化合物： 1 是p38的抑制剂，可用于治疗类风湿性关节炎等炎症性疾病。
• Redox-mediation of electron–electron spin–spin exchange interactions, | J |, in paramagnetic trinuclear molybdenum complexes: an example of a ‘J switch’
  作者：Elefteria Psillakis、Peter K. A. Shonfield、Abdel-Aziz Jouaiti、John P. Maher、Jon A. McCleverty、Michael D. Ward

  DOI：10.1039/a908323e

  日期：——

  A series of trinuclear molybdenum nitrosyl complexes has been prepared using the dinucleating ligands 4-(4-hydroxyphenyl)pyridine (HL1), 1-(4-pyridyl)-2-(4-hydroxyphenyl)-ethene (HL2) and -ethane (HL3), and the trinucleating ligands 3,5-bis(4-hydroxyphenyl)pyridine (H2L4) and 2,6-bis(4-ethenylpyridyl)-4-hydroxytoluene (HL5). These complexes are of the type [text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2] (text-decoration:underlineMo = Mo(NO)TpMe,Me, TpMe,Me = tris(3,5-dimethylpyrazolyl)borate; E = nothing, CHCH and CH2CH2; py = C5H4N or C5H3N; from HL1, HL2 and HL3), [Cltext-decoration:underlineMo(OC6H4)}2pytext-decoration:underlineMoCl] (from H2L4), and [Cltext-decoration:underlineMoOC6H3Me[CHCHpytext-decoration:underlineMoCl]2}] (from HL5). The species [text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2] contains one 16 valence electron (ve) ([text-decoration:underlineMoOC6H4–}2]) and two 17 ve centres ([(–py)text-decoration:underlineMoCl]), [Cltext-decoration:underlineMo(OC6H4)}2pytext-decoration:underlineMoCl] has two 16 ([Cltext-decoration:underlineMoOC6H4–}]) and one 17 ([(–py)text-decoration:underlineMoCl]) ve centres and [Cltext-decoration:underlineMoOC6H3Me[CHCHpytext-decoration:underlineMoCl]2}] one 16 and two 17 ve centres. Reduction of these species by cobaltocene in tetrahydrofuran/dichloromethane mixtures affords complexes having three 17 ve centres with one unpaired electron per metal centre. The interaction between these unpaired electrons in solution is determined by the relationship between |J|, the electron spin–spin exchange interaction, and AMo, the molybdenum hyperfine coupling constant, which was detected by EPR spectroscopy. In [text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2], the interaction was dependent on ligand conformation, |J| ≈ AMo when E = nothing, |J| ≫ AMo when E = CHCH and |J| ≪ AMo when E = CH2CH2. Reduction of [text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2] to [text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2]− resulted in exchange between all three spins irrespective of ligand conformation, and the EPR spectra of [Cltext-decoration:underlineMo(OC6H4)}2pytext-decoration:underlineMoCl]2− and [Cltext-decoration:underlineMoOC6H3Me[CHCHpytext-decoration:underlineMoCl]2}]− were similar to that of [text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2]−. Oxidation reconstitutes the original EPR spectra of [text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2], [Cltext-decoration:underlineMo(OC6H4)}2pytext-decoration:underlineMoCl] and [Cltext-decoration:underlineMoOC6H3Me[CHCHpytext-decoration:underlineMoCl]2}]. This behaviour is consistent with full three centre interaction being ‘switched on’ when the 17∶16∶17 or 16∶17∶16 ve systems are reduced to a 17∶17∶17 ve system, and ‘switched off’ on reoxidation.

  一系列三核钼硝酰配合物已经使用二核配体4-(4-羟基苯基)pyridine（HL1）、1-(4-吡啶基)-2-(4-羟基苯基)-乙烯（HL2）和-乙烷（HL3），以及三核配体3,5-二(4-羟基苯基)pyridine（H2L4）和2,6-二(4-乙烯基吡啶)-4-羟基甲苯（HL5）制备。这些配合物的类型为[text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2]（text-decoration:underlineMo = Mo(NO)TpMe,Me, TpMe,Me = 三(3,5-二甲基吡唑基)硼酸盐；E = nothing, CHCH 和 CH2CH2；py = C5H4N 或 C5H3N；来源于HL1、HL2和HL3），[Cltext-decoration:underlineMo(OC6H4)}2pytext-decoration:underlineMoCl]（来源于H2L4），以及[Cltext-decoration:underlineMoOC6H3Me[CHCHpytext-decoration:underlineMoCl]2}]（来源于HL5）。该物种[text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2]包含一个16价电子（ve）中心([text-decoration:underlineMoOC6H4–}2])和两个17价电子中心([(-py)text-decoration:underlineMoCl])，而[Cltext-decoration:underlineMo(OC6H4)}2pytext-decoration:underlineMoCl]具有两个16价电子([Cltext-decoration:underlineMoOC6H4–}])和一个17价电子([(-py)text-decoration:underlineMoCl])中心，以及[Cltext-decoration:underlineMoOC6H3Me[CHCHpytext-decoration:underlineMoCl]2}]具有一个16和两个17价电子中心。这些物种在四氢呋喃/二氯甲烷混合物中被羧基钴还原会生成具有三个17价电子中心和每个金属中心一个未成对电子的配合物。在溶液中，这些未成对电子之间的相互作用由|J|（电子自旋-自旋交换相互作用）与AMo（钼超细耦合常数）之间的关系决定，这种关系通过EPR光谱法得到检测。在[text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2]中，相互作用依赖于配体构象，当E = nothing时，|J|≈AMo；当E = CHCH时，|J|≥AMo；当E = CH2CH2时，|J|≤AMo。从[text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2]还原至[text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2]⁻时，无论配体构象如何，所有三个自旋之间都发生了交换，而[Cltext-decoration:underlineMo(OC6H4)}2pytext-decoration:underlineMoCl]⁻和[Cltext-decoration:underlineMoOC6H3Me[CHCHpytext-decoration:underlineMoCl]2}]⁻的EPR光谱与[text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2]⁻的光谱相似。氧化过程重新构造了[text-decoration:underlineMoOC6H4Epytext-decoration:underlineMoCl}2]、[Cltext-decoration:underlineMo(OC6H4)}2pytext-decoration:underlineMoCl]和[Cltext-decoration:underlineMoOC6H3Me[CHCHpytext-decoration:underlineMoCl]2}]的原始EPR光谱。这种行为与当17↓16↓17或16↓17↓16价电子体系被还原为17↓17↓17价电子体系时，完全的三中心相互作用被“开启”，而在重新氧化时则被“关闭”的情况相一致。
• Functionalized Photoreactive Compounds
  申请人：Cherkaoui Mohammed Zoubair

  公开号：US20080274304A1

  公开（公告）日：2008-11-06

  The present invention concerns functionalized photoreactive compounds of formula (I), that are particularly useful in materials for the alignment of liquid crystals. Due to the adjunction of an electron withdrawing group to specific molecular systems bearing an unsaturation directly attached to two unsaturated ring systems, exceptionally high photosensitivities, excellent alignment properties as well as good mechanical robustness could be achieved in materials comprising said functionalized photoreactive compounds of the invention.

  本发明涉及式(I)的官能化光反应化合物，特别适用于液晶对准材料。由于在特定分子系统中的不饱和键直接连接到两个不饱和环系统上附加了一个电子受体基团，因此在包含本发明的这些官能化光反应化合物的材料中可以实现异常高的光敏性、优异的对准性能以及良好的机械稳健性。
• Spin Exchange Interaction through Phenylene-Ethynylene Bridge in Diradicals Based on Iminonitroxide and Nitronylnitroxide Radical Derivatives. 1. Experimental Investigation of the Through-Bond Spin Exchange Coupling
  作者：Pascale Wautelet、Jacques Le Moigne、Vladimira Videva、Philippe Turek

  DOI：10.1021/jo034723n

  日期：2003.10.1

  pi-conjugation on the intramolecular through-bond spin coupling have been investigated by changing the length of the spacer within linear derivatives. The EPR studies demonstrate the intramolecular magnetic coupling between the radical spins within all compounds. This result is very attractive and unusual, given the large distance between the radicals from 15 A in the dimer to 36 A in the pentamer.

  已经制备了一系列不同长度和几何形状的双亚氨基硝基二自由基衍生物，它们结合了共轭亚苯基-亚乙炔基桥作为刚性间隔基。本文介绍了这些新组件的合成及其主要特征。对于取代的“间亚苯基”基双自由基，发现了意外的单重态基态和取代基对单重态-三重态间隙的影响。通过改变线性导数内间隔基的长度，研究了π共轭对分子内通过键的自旋偶合的影响。EPR研究表明，所有化合物中自由基自旋之间的分子内磁耦合。鉴于自由基之间的距离（二聚体中的15 A与五聚体中的36 A之间的距离较大），因此此结果非常诱人且不寻常。

表征谱图