4-溴-5-甲基-1,2-苯二酚 | 18863-72-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-溴-5-甲基-1,2-苯二酚
• 英文名称: 4-bromo-5-methylbenzene-1,2-diol
• 英文别名: 4-bromo-5-methylcatechol
• CAS: 18863-72-4
• 化学式: C₇H₇BrO₂
• 分子量: 203.035
• InChiKey: UJOPSAXOAYKHTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2908199090

反应信息

• 作为反应物：
  描述：

  4-溴-5-甲基-1,2-苯二酚 在 2-双环己基膦-2',6'-二甲氧基联苯 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 palladium 10% on activated carbon 、 氢气 、 potassium acetate 、 palladium diacetate 、 potassium carbonate 、 caesium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 20.0~80.0 ℃ 、800.01 kPa 条件下， 反应 88.5h， 生成 5'-methoxy-6-methylbiphenyl-3,4,3'-triol
  参考文献：
  名称：

  脱羧阿藤菌素的全合成

  摘要：

  脱羧阿藤菌素（5'-甲氧基-6-甲基-[1,1'-联苯]-3,3',4-三醇）是一种由多种霉菌产生的毒素，经过七个步骤的全合成从4-甲基儿茶酚和1-溴-3,5-二甲氧基苯开始，产率高达31%，其中最长的线性序列由五个步骤组成。关键反应是芳族硼酸酯与溴化间苯二酚衍生物的钯催化铃木偶联反应。

  DOI：

  10.3762/bjoc.17.22
• 作为产物：
  描述：

  3,4-二甲氧基甲苯 在 溴 作用下， 以 四氯化碳 、 二氯甲烷 、 氯仿 为溶剂， 反应 5.0h， 生成 4-溴-5-甲基-1,2-苯二酚
  参考文献：
  名称：

  [EN] NOVEL BENZODIOXOLES
  [FR] NOUVEAUX BENZODIOXOLES

  摘要：

  本发明涉及具有式（I）的化合物，其中R1、R2、R3、R4、R5、R6、R7和X如描述和权利要求中所定义，并且其药学上可接受的盐。这些化合物可用于治疗和/或预防与CB1受体调节相关的疾病。

  公开号：

  WO2004013120A1

文献信息

• Fluorescent probe
  申请人：——

  公开号：US07524974B2

  公开（公告）日：2009-04-28

  A fluorescent probe which is represented by the following formula (I): (wherein, R1 and R2 represent hydrogen atom, or a substituent for trapping proton, a metal ion, or an active oxygen species, or the like; R3 represents a monovalent substituent; R4 and R5 represent hydrogen atom or a halogen atom; R6 represents hydrogen atom, an alkylcarbonyl group, or an alkylcarbonyloxymethyl group, provided that a combination of R1, R2, and R3 provides (1) substantially high electron density of the benzene ring to which said groups bind, so that the compound represented by the formula (I) is substantially no fluorescent before the trapping of proton, or the like, and (2) substantially reduced electron density of the benzene ring to which said groups bind, so that a compound after the trapping, which is derived from the compound represented by the formula (I) is substantially highly fluorescent after the trapping of proton or the like). A fluorescent probe having an excellent fluorescence property is provided.

  一种荧光探针，其由以下公式（I）表示： （其中，R1和R2代表氢原子，或用于捕获质子、金属离子或活性氧物种等的取代基；R3代表一价取代基；R4和R5代表氢原子或卤素原子；R6代表氢原子、烷基羰基基团或烷基羰氧甲基基团，前提是R1、R2和R3的组合提供（1）苯环的电子密度显著高，使得由公式（I）表示的化合物在捕获质子等之前基本不发光，以及（2）苯环的电子密度显著降低，使得捕获后的化合物，即由公式（I）表示的化合物衍生物，在捕获质子等后基本上具有高荧光性）。提供了具有优异荧光性能的荧光探针。
• Compounds for binding to ERalpha/beta and GPR30, methods of treating disease states and conditions mediated through these receptors and identification thereof
  申请人：Prossnitz Eric R.

  公开号：US20080167334A1

  公开（公告）日：2008-07-10

  The current invention is in the field of molecular biology/pharmacology and provides compounds which modulate the effects of GPR30 as well as the classical estrogen receptors alpha and beta (ERα and ERβ). These compounds may function as agonists and/or antagonists of one or more of the disclosed estrogen receptors. Diseases which are mediated through one or more of these receptors include cancer (particularly breast, reproductive and other hormone-dependent cancers, leukemia, colon cancer, prostate cancer), reproductive (genito-urological) including endometritis, prostatitis, polycystic ovarian syndrome, bladder control, hormone-related disorders, hearing disorders, cardiovascular conditions including hot flashes and profuse sweating, hypertension, stroke, obesity, osteoporosis, hematologic diseases, vascular diseases or conditions such as venous thrombosis, atherosclerosis, among numerous others and disorders of the central and peripheral nervous system, including depression, insomnia, anxiety, multiple sclerosis, neuropathy, neurodegenerative disorders such as Parkinson's disease and Alzheimer's disease, as well as inflammatory bowel disease, Crohn's disease, coeliac (celiac) disease and related disorders of the intestine. A contraceptive indication to prevent or reduce the likelihood of pregnancy after intercourse is a further aspect of the present invention.

  当前的发明涉及分子生物学/药理学领域，并提供调节GPR30以及经典雌激素受体α和β（ERα和ERβ）效应的化合物。这些化合物可能作为抗原或/和拮抗剂作用于所披露的一个或多个雌激素受体。通过这些受体中的一个或多个介导的疾病包括癌症（特别是乳腺、生殖和其他激素依赖性癌症、白血病、结肠癌、前列腺癌）、生殖（泌尿生殖系统）包括子宫内膜炎、前列腺炎、多囊卵巢综合征、膀胱控制、激素相关疾病、听力障碍、心血管疾病包括潮热和大量出汗、高血压、中风、肥胖、骨质疏松症、血液学疾病、血管疾病或情况如静脉血栓形成、动脉粥样硬化等，以及中枢和外周神经系统的疾病，包括抑郁症、失眠、焦虑、多发性硬化、神经病、帕金森病和阿尔茨海默病等神经退行性疾病，以及炎症性肠病、克罗恩病、乳糜泻病和相关肠道疾病。避孕指示以预防或减少性交后怀孕的可能性是本发明的另一个方面。
• MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME
  申请人：TABATA Masayoshi

  公开号：US20110224343A1

  公开（公告）日：2011-09-15

  The present invention provides a modifier for aromatic polyesters which enhances the melt fluidity of aromatic polyesters without a significant decrease in the heat resistance of the aromatic polyesters, and an aromatic polyester resin composition including the modifier for aromatic polyesters. The present invention relates to a modifier for aromatic polyesters comprising polyhydric phenol residues and residues of aromatic polycarboxylic acid, acid halide or acid anhydride thereof, and the modifier comprises a material having a structure composed of a first residue selected from the group consisting of divalent residues represented by Formula (I): —Ar—W 1 x —Ar— and by Formula (II): —Ar—, the first residues being bonded to two identical or different second residues selected from the group consisting of monovalent residues represented by Formula (III): and monovalent residues represented by Formula (IV): —O—C(O)—R 7 —.

  本发明提供了一种用于芳香族聚酯的改性剂，可以增强芳香族聚酯的熔融流动性，而不明显降低芳香族聚酯的耐热性，以及包括该改性剂的芳香族聚酯树脂组合物。本发明涉及一种用于芳香族聚酯的改性剂，包括多羟基酚残基和芳香族多羧酸、酸卤或其酸酐残基，该改性剂包括具有以下结构的材料：第一残基，选择自由式(I)所代表的二价残基：—Ar—W1x—Ar—和自由式(II)所代表的：—Ar—，第一残基与选择自由式(III)所代表的单价残基：和自由式(IV)所代表的单价残基：—O—C(O)—R7—的两个相同或不同的第二残基结合。
• Sulfur Nitrides in Organic Chemistry. 18. Preparation and Reduction of Benzo[1,2-<i>c</i>:3,4-<i>c</i>′:5,6-<i>c</i>″]tris- and Benzo[1,2-<i>c</i>:3,4-<i>c</i>′]bis[1,2,5]thiadiazole. A Convenient Route to Benzenehexamine and 1,2,3,4-Benzenetetramine
  作者：Shuntaro Mataka、Hisao Eguchi、Kazufumi Takahashi、Taizo Hatta、Masashi Tashiro

  DOI：10.1246/bcsj.62.3127

  日期：1989.10

  Benzotris- (3) and benzobis[1,2,5]thiadiazole (4) were prepared in a moderate yield, respectively, by the reaction of tetrasulfur tetranitride (5) with halocatechols (6) and -resorcinols (7). The reduction of 3 and 4 with Sn powder in a mixture of concentrated hydrochloric acid and dioxane gave benzenehexamine (1) and 1,2,3,4-benzenetetramine (2a) and its 5-methyl derivative (2b) in good yields, as

  通过四氮化四硫 (5) 与卤代儿茶酚 (6) 和间苯二酚 (7) 的反应，分别以中等产率制备苯并三- (3) 和苯并双 [1,2,5] 噻二唑 (4)。在浓盐酸和二恶烷的混合物中用锡粉还原 3 和 4 得到苯六胺 (1) 和 1,2,3,4-苯四胺 (2a) 及其 5-甲基衍生物 (2b)，收率良好，如分别是稳定的三盐酸盐 (1·3HCl) 和二盐酸盐 (2·2HCl)。
• A New Secondary Metabolite from<i>Alternaria Alternata</i>: Structure Elucidation and Total Synthesis of Altenuic Acid IV
  作者：Dominik Kohler、Joachim Podlech

  DOI：10.1002/ejoc.201801801

  日期：2019.2.28

  A missing link in the putative biosynthesis of the altenuic acids I–III has been identified and its structure was confirmed by total synthesis. It could be produced in the fungus Alternaria alternata by oxidative ring opening of altenusin.

  鉴定了Altenuic acid I–III的假定生物合成中的缺失环节，并通过全合成证实了其结构。它可以通过altenusin的氧化开环而在真菌Alternaria alternata中产生。