2,6-二溴-4-甲基苯甲醚 | 51699-89-9

• 物质功能分类: 有机原料 - 醚类化合物及其衍生物
• 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-甲基苯甲醚
• 中文别名: 2H-1-苯并吡喃-3-羧酸,6,8-二氯-3,4-二氢-,乙基酯
• 英文名称: 2,6-dibromo-4-methylanisole
• 英文别名: 3,5-dibromo-4-methoxytoluene；1,3-dibromo-2-methoxy-5-methylbenzene
• CAS: 51699-89-9
• 化学式: C₈H₈Br₂O
• 分子量: 279.959
• InChiKey: IHOLQYYMMKYVLH-UHFFFAOYSA-N

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,P264,P270,P271,P273,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335,H412
• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  2,6-二溴-4-甲基苯甲醚 在 chromium(VI) oxide 、 盐酸 、 甲醇 、 硫酸 、 potassium carbonate 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 溶剂黄146 、 丙酮 为溶剂， 反应 17.0h， 生成 2,4-dibromo-3,6-dimethoxybenzyl chloride
  参考文献：
  名称：

  Aplysinadiene和（r，r）5 [3,5-二溴-4-[（2-oxo-5-oxazolidinyl）]甲氧基苯基] -2-oxazolidinone，两个新的代谢产物，由Apersina aerophoba合成

  摘要：

  从海绵中获得了从遗传上衍生自二溴酪氨酸的两种新型成分。apssinadiene的结构是基于其光谱性质以及异构体和异构体的合成而建立的。通过X-射线衍射分析确定恶唑烷酮的结构和绝对构型为（R，R）5 [3，5-二溴-4-[（2-氧代-5-恶唑烷基）]甲氧基苯基] -2-恶唑烷酮。

  DOI：

  10.1016/s0040-4020(01)86201-3
• 作为产物：
  描述：

  对甲酚 在 溴 、 sodium hydroxide 作用下， 以 水 、 1,2-二氯乙烷 为溶剂， 反应 12.0h， 生成 2,6-二溴-4-甲基苯甲醚
  参考文献：
  名称：

  Process Development of the Synthesis of 3,4,5-Trimethoxytoluene

  摘要：

  3,4,5-Trimethoxytoluene (TMT) was synthesized, starting from p-cresol, through bromination followed by methylation to give 3,5-dibromo-4-methoxytoluene (DBMT). The methoxylation of the latter with sodium methoxide in methanol was studied under pressure and by continuous distillation of the solvent, methanol. The O-methylation reaction preceding the methoxylation was advantageous from the point of view of separation, purification, and isolation of the desired product and also in reducing the tar formation. The residue obtained was minimized to 0.6-0.7 wt% of the DBMT. The methoxylation reaction with distillative removal of methanol gave a conversion of 98% of DBMT to the mixture of methoxylated products, and the conversion to TMT was 86.5% as compared to 93% and 70.81%, respectively, when the reaction was carried out under pressure in a sealed reactor. However, the overall conversion to TMT based on p-cresol is 64.27% for the methoxylation reaction under pressure and 78.46% for the reaction by continuous removal of methanol calculated as isolated yield. The advantages of the methoxylation of the DBMT over the published literature procedures involving direct methoxylation of 3,5-dibromo-p-cresol followed by methylation of the dimethoxy-p-cresol are the ease of separation, purification, and isolation by vacuum fractionation of the desired product TMT.

  DOI：

  10.1021/op0502248

文献信息

• CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME
  申请人：BRANDEIS UNIVERSITY

  公开号：US20200048243A1

  公开（公告）日：2020-02-13

  The present invention includes certain conchinine-derived phase-transfer catalysts of formula (I), compositions comprising the same, and methods of promoting asymmetric addition reactions using the same.

  本发明涵盖了某些以康奇宁为基础的相转移催化剂的化学式(I)，包括相同化合物的组合物，以及利用这些催化剂促进不对称加成反应的方法。
• Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds
  申请人：Miki Kazuki

  公开号：US20080305169A1

  公开（公告）日：2008-12-11

  [Problems] The present invention provides pharmaceutical composition which is effective for the prophylaxis or treatment of pathology showing involvement of uric acid (hyperuricemia, gouty tophus, acute gout arthritis, chronic gout arthritis, gouty kidney, urolithiasis, renal function disorder, coronary arterial disease, ischemic heart disease and the like) and the like, and is superior in the time-course stability and dissolution property (disintegration property). [Solving Means] The pharmaceutical composition of the present invention is a pharmaceutical composition comprising a nitrogen-containing fused ring compound represented by the following formula [1] or a pharmaceutically acceptable salt thereof, and one or more pharmaceutically acceptable additives, wherein the nitrogen-containing fused ring compound or a pharmaceutically acceptable salt thereof is not in contact with a basic additive: wherein each symbol is as described in the specification.

  本发明提供了一种药物组合物，用于预防或治疗涉及尿酸的病理（高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等），并且在时间稳定性和溶解性（分解性）方面具有优越性。 【解决手段】本发明的药物组合物是一种药物组合物，包括下式【1】所表示的含氮融合环化合物或其药学上可接受的盐，以及一种或多种药学上可接受的添加剂，其中所述的含氮融合环化合物或其药学上可接受的盐与碱性添加剂不接触： 其中每个符号如说明书中所述。
• Production Method of Nitrogen-Containing Fused Ring Compounds
  申请人：Hirata Kazuyuki

  公开号：US20080064871A1

  公开（公告）日：2008-03-13

  [Problems] The present invention provides a superior production method and a superior purification method of compounds effective for the treatment or prophylaxis of pathology showing involvement of uric acid, such as hyperuricemia, gouty tophus, acute gouty arthritis, chronic gouty arthritis, gouty kidney, urolithiasis, renal function disorder, coronary artery disease, ischemic heart disease and the like. [Means] A compound represented by the following formula [2] or a pharmaceutically acceptable salt thereof can be produced by reacting a compound represented by the following formula [3] or a salt thereof with a compound represented by the following formula [4], a salt thereof or a reactive derivative thereof. Moreover, crystallization of a compound represented by the formula [2] can be performed with industrially superior workability, and high quality crystals of a compound represented by the formula [2] can be obtained. wherein each symbol is as defined in the description.

  本发明提供了一种优越的化合物生产方法和优越的纯化方法，用于治疗或预防涉及尿酸的病理学，如高尿酸血症、痛风石、急性痛风性关节炎、慢性痛风性关节炎、痛风性肾脏、尿路结石、肾功能障碍、冠状动脉疾病、缺血性心脏病等。 [手段] 通过将以下式[3]所代表的化合物或其盐与以下式[4]所代表的化合物、其盐或其反应衍生物反应，可以制备以下式[2]所代表的化合物或其药用可接受的盐。此外，可以以工业上优越的可操作性进行以下式[2]所代表的化合物的结晶，并且可以获得以下式[2]所代表的化合物的高质量晶体。 其中每个符号如描述中所定义。
• <i>m</i>-Phenylene-Linked Dipyrrins and Their Boron–Difluoride Complexes as Variously Shaped Macrocyclic Oligomers
  作者：Junji Uchida、Takashi Nakamura、Masaki Yamamura、Gento Yamaguchi、Tatsuya Nabeshima

  DOI：10.1021/acs.orglett.6b02761

  日期：2016.10.21

  as well as rotational flexibility, is presented to produce a series of variously shaped macrocyclic oligomers of dipyrrins and BODIPYs, whose structures were revealed by X-ray crystallography and 1H NMR analysis. Although the chemical structures of the repeating units are the same for dipyrrin/BODIPY oligomers, their absorbance and emission properties changed significantly depending on the size and

  一个的有效性米亚苯基连接基团，其具有刚性以及旋转灵活性，被呈现给产生一系列dipyrrins和BODIPYs，其结构通过X射线晶体学和被揭露的各种形状的大环低聚物的1点H NMR分析。尽管对于二吡啶/ BODIPY低聚物而言，重复单元的化学结构相同，但它们的吸收和发射性质会根据大环的大小和形状而发生显着变化。
• Aromatization via a Dibromination-Double Dehydrobromination Sequence: A Facile and Convenient Synthetic Route to 2,6-Bis(trifluoroacetyl)phenols
  作者：Dmitri Sevenard、Gerd-Volker Röschenthaler、Olesya Kazakova、Ralf-Matthias Schoth、Enno Lork、Dmitri Chizhov、Jörn Poveleit

  DOI：10.1055/s-2008-1067080

  日期：——

  in the 4-po- sition was developed. These valuable fluorinated building blocks were obtained from the corresponding cyclohexanones in a facile and convenient procedure, demonstrated to be superior to the tradi- tional approaches. The application of this methodology to cyclohex- ane-1,4-dione opened access to 2,5-bis(polyfluoroacyl)-1,4- hydroquinones. Structural peculiarities of the obtained phenols

  开发了一种有效且可靠的方法来合成 4 位具有各种取代基的 2,6-双（三氟乙酰基）苯酚。这些有价值的氟化结构单元是从相应的环己酮中以简单方便的方法获得的，证明优于传统方法。将该方法应用于 cyclohex-ane-1,4-dione 开辟了获得 2,5-bis(polyfluoroacyl)-1,4-hydroquinones 的途径。在多核 NMR 光谱的基础上讨论了所得酚及其 1,3-二羰基或 1,3,5-三羰基前体的结构特性。