2-溴-1,3-二甲氧基-5-甲基苯 | 2675-82-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-溴-1,3-二甲氧基-5-甲基苯
• 英文名称: bromo-4-dimethoxy-3,5-toluene
• 英文别名: 4-bromo-3,5-dimethoxytoluene；4-Brom-3,5-dimethoxytoluol；Di-O-methyl-4-brom-orcinol；2-Bromo-1,3-dimethoxy-5-methylbenzene
• CAS: 2675-82-3
• 化学式: C₉H₁₁BrO₂
• 分子量: 231.089
• InChiKey: OQZULPTUCIDLJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-溴-1,3-二甲氧基-5-甲基苯 在 盐酸 、 palladium on activated charcoal 氢氧化钾 、 lithium aluminium tetrahydride 、 氢气 、 potassium carbonate 、 magnesium 、 三氟乙酸酐 、 碘甲烷 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 90.5h， 生成 (2',4,6,6'-tetramethoxy-2,4-dimethyl-1,1'-biphenyl-3,3'-diyl)-bisethanone
  参考文献：
  名称：

  Rizzacase, Mark A.; Sargent, Melvyn V., Journal of the Chemical Society. Perkin transactions I, 1988, p. 2425 - 2428

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5-二甲氧基甲苯 在 苯基锂 、 1,2-二溴乙烷 作用下， 以 乙醚 为溶剂， 以72%的产率得到2-溴-1,3-二甲氧基-5-甲基苯
  参考文献：
  名称：

  糠醛糠醛合成新合成酶，二甲氧基-3,8-（二甲氧基-2,4-甲氧基羰基-5-二甲氧基-3,6-苄基）-9-三甲氧基-1,4,6- oxo-11-11 H -dibenzo [ b，e ]dioxépinne[1,4]羧酸盐7-甲基

  摘要：

  糠酸衍生物新的二甲泼酮的合成：3,6-二甲氧基-9-（2,4-二甲氧基-5-甲氧基羰基-3,6-二甲基苄基）-1,4,6-三甲基-11-氧代甲基11 H-二苯并[ b，e ] [1,4]二氧杂-7-羧酸盐

  DOI：

  10.1002/hlca.19850680719

文献信息

• Reactions with thioethoxide ion in dimethylformamide. I. Selective demethylation of aryl methyl ethers
  作者：GI Feutrill、RN Mirrington

  DOI：10.1071/ch9721719

  日期：——

  Recent methods for demethylating aryl methyl ethers have been briefly reviewed, especially methods involving the use of nucleophilic reagents. Sodium thioethoxide dissolved in N,N-dimethylformamide has been developed as a powerful new reagent for demethylating aryl methyl ethers cleanly and rapidly in high yield. The reaction conditions can be controlled so that aromatic bromo substituents or isolated olefinic bonds are unaffected. Of special interest has been the selective monodemethylation of the methyl ethers of di- and tri-hydric phenols, exemplified by the isolation in high yield of orcinol monomethyl ether, p-methoxyphenol, guaiacol, and phloroglucinol dimethyl ether from the respective fully O-methylated compounds. An exception was pyrogallol trimethyl ether which afforded pyrogallol 1-monomethyl ether in high yield.

  对最近的芳基甲基醚脱甲基方法进行了简要回顾，尤其是涉及使用亲核试剂的方法。 使用亲核试剂的方法。硫代乙醇钠 溶于 N,N-二甲基甲酰胺中 已被开发为一种强大的新试剂，可干净利落地使芳基甲基醚脱甲基化。 高产率、清洁、快速地使芳基甲基醚脱甲基化的新试剂。反应条件 可以控制反应条件，使芳香溴取代基或孤立的烯烃键不受影响。特别令人感兴趣的是 的甲基醚的选择性单去甲基化反应。 二水和三水酚的甲基醚的选择性单去甲 酚的选择性单甲基化，例如高产率地分离出orcinol 单甲醚、对甲氧基苯酚、愈创木酚和氯代葡萄糖醛二甲醚 从各自完全 O-甲基化的 化合物。但焦醛三甲醚是个例外，它可以得到 高产率的焦醛 1-单甲醚。
• PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS
  申请人：Cutshall Neil S.

  公开号：US20110224202A1

  公开（公告）日：2011-09-15

  Compounds that inhibit PDE10 are disclosed that have utility in the treatment of a variety of conditions, including (but not limited to) psychotic, anxiety, movement disorders and/or neurological disorders such as Parkinson's disease, Huntington's disease, Alzheimer's disease, encephalitis, phobias, epilepsy, aphasia, Bell's palsy, cerebral palsy, sleep disorders, pain, Tourette's syndrome, schizophrenia, delusional disorders, drug-induced psychosis and panic and obsessive-compulsive disorders. Pharmaceutically acceptable salts, stereoisomers, solvates and prodrugs of the compounds are also provided. Also disclosed are compositions containing a compound in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for inhibiting PDE10 in a warm-blooded animal in need of the same.

  揭示了抑制PDE10的化合物，对治疗多种疾病有用，包括（但不限于）精神病、焦虑、运动障碍和/或神经系统疾病，如帕金森病、亨廷顿病、阿尔茨海默病、脑炎、恐惧症、癫痫、失语症、贝尔氏面瘫、脑瘫、睡眠障碍、疼痛、抽动综合征、精神分裂症、妄想症、药物诱发的精神病、恐慌和强迫症。还提供了这些化合物的药用盐、立体异构体、溶剂合物和前药。还揭示了含有化合物与药用载体组合的组合物，以及与使用有关的方法，用于在需要的温血动物中抑制PDE10。
• TUMOR TARGETED DRUG COMBRETASTATIN A4 DERIVATIVE
  申请人：Wang Yong

  公开号：US20140128384A1

  公开（公告）日：2014-05-08

  The present invention relates to imidazole, oxazole and thiazole derivatives of tumor-targeted drug combretastatin A4, and phosphate esters, sulfonate esters or pharmaceutically acceptable salts, glycoside derivatives, solvates thereof, wherein the A-ring comprises a 3,5-dimethoxyphenyl group having a substituent at the 4-position. The pharmacological activity assays have demonstrated that the compounds of the present invention have good in vitro anti-tumor activity and excellent tubulin inhibitory effect.

  本发明涉及肿瘤靶向药物康柏他丁A4的咪唑、噁唑和噻唑衍生物，以及磷酸酯、磺酸酯或药用可接受的盐、糖苷衍生物、其溶剂合物，其中A环包括在4位有取代基的3,5-二甲氧基苯基基团。药理活性测定表明，本发明的化合物在体外具有良好的抗肿瘤活性和优秀的微管抑制作用。
• NOVEL PHLOROGLUCINOL DERIVATIVES HAVING SELECTIN LIGAND ACTIVITY
  申请人：AYDT Ewald M.

  公开号：US20110142765A1

  公开（公告）日：2011-06-16

  Pharmaceutical compositions comprising at least one compound of the formula (I) and a pharmaceutically acceptable carrier which is useful in a medicine wherein the symbols and substituents have the following meaning —X— is e.g. and Y being e.g. or the pharmaceutically acceptable salts, esters or amides and prodrugs can be applied to modulate the in-vitro and in-vivo binding processes mediated by E-, P- or selectin binding.

  制药组合物包括至少一种式(I)化合物和药学上可接受的载体，其在药学上有用，其中符号和取代基具有以下含义：-X-例如，并且Y例如或药学上可接受的盐，酯或酰胺和前药可以应用于调节由E-，P-或选择素结合介导的体外和体内结合过程。
• DYE-SENSITIZED SOLAR CELL AND SENSITIZING DYE
  申请人：Han Liyuan

  公开号：US20140202537A1

  公开（公告）日：2014-07-24

  Provided is a dye-sensitized solar cell in which the energy conversion efficiency is increased by adsorbing two different kinds of dyes to the surface of titanium oxide that constitutes a semiconductor electrode. In a dye-sensitized solar cell including a conductive support, a porous semiconductor layer having sensitizing dyes adsorbed onto this conductive support, a carrier transport layer and a counter electrode, the energy conversion efficiency is increased by adsorbing a mixture of a ruthenium complex, and an organic dye having a different molecular size and exhibiting a high open circuit voltage as a photoelectric conversion characteristic obtainable by the dye alone, onto the porous semiconductor layer.

  提供的是一种染料敏化太阳能电池，其中通过将两种不同的染料吸附到构成半导体电极的二氧化钛表面来提高能量转换效率。在包括导电支撑、具有敏化染料吸附到该导电支撑上的多孔半导体层、载流子传输层和对电极的染料敏化太阳能电池中，通过将一种钌配合物和一种具有不同分子大小且表现出高开路电压作为仅染料本身可获得的光电转换特性的有机染料的混合物吸附到多孔半导体层上，提高了能量转换效率。