3,5-二羟基-4-甲基苯甲酸甲酯 | 75238-29-8

• 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: 3,5-二羟基-4-甲基苯甲酸甲酯
• 英文名称: 3,5-dihydroxy-4-methylbenzoic acid methyl ester
• 英文别名: 3,5-Dihydroxy-4-methylbenzoesaeure-methylester；methyl 3,5-dihydroxy-4-methylbenzoate；3,5-dihydroxy-4-methyl-benzoic acid methyl ester；3,5-Dihydroxy-4-methyl-benzoesaeure-methylester
• CAS: 75238-29-8
• 化学式: C₉H₁₀O₄
• mdl: MFCD00061125
• 分子量: 182.176
• InChiKey: YVVWRFQRKJIERW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,5-二羟基-4-甲基苯甲酸甲酯 在 Rh/Al₂O₃ 氢气 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 105.0 ℃ 、13.17 MPa 条件下， 反应 22.0h， 以62%的产率得到all-cis-3,5-dihydroxy-4-methyl-1-(methoxycarbonyl)cyclohexane
  参考文献：
  名称：

  Asymmetrization of all-cis-3,5-dihydroxy-1-(methoxycarbonyl)cyclohexane and of the 4-methyl and 4-ethyl substituted homologues

  摘要：

  Enantiomerically pure mono acylated derivatives of cis,cis-3, 5-dihydroxy-1-(methoxycarbonyl)cyclohexane 1, all-cis-3,5-dihydroxy-4-methyl-1-(methoxycarbonyl)cyclohexane 2 and all-cis-3,5-dihydroxy-4-ethyl-1-(methoxycarbonyl)cyclohexane 3 were obtained upon lipase catalyzed asymmetrization. PPL-catalyzed transesterification of 1 with vinyl acetate led in high yield to the (S)-monoacetate (+)-13. With substrates 2 and 3 this process was slower and gave the (R)-monoacetates (-)-14 and (-)-15; the best results were obtained with SAM II lipase. On the other hand, enantiotoposelective hydrolysis of their diacetates and especially dibutyrates gave useful results only for the 4-substituted substrates and produced the (S)-monoesters. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(00)00339-6
• 作为产物：
  描述：

  methyl 3,5-bis(benzyloxy)-4-methylbenzoate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以94%的产率得到3,5-二羟基-4-甲基苯甲酸甲酯
  参考文献：
  名称：

  Preparation of Tricyclic Analog as CDE Ring Model of Renieramycin Marine Natural Product by Novel Photo-Induced Transformation of 6-Methoxy-1,2,3,4-Tetrahydroisoquinoline-5,8-dione

  摘要：

  DOI：

  10.3987/com-18-s(f)100

文献信息

• [EN] COMPOUNDS FOR THE TREATMENT OF HEPATITIS C<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2010030592A1

  公开（公告）日：2010-03-18

  The disclosure provides compounds of formula I, including their salts, as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

  本公开提供了公式I的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物对丙型肝炎病毒（HCV）具有活性，可能对治疗HCV感染者有益。
• New oxybenzamide derivatives useful for inhibiting factor Xa or VIIa
  申请人：——

  公开号：US20020198195A1

  公开（公告）日：2002-12-26

  The present invention relates to compounds comprising the following formula: R 0 —Q—X—Q′—W—U—V—G—M  (I) These compounds are useful as pharmacologically active compounds. They exhibit an antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders such as thromboembolic diseases or restenoses. These compounds are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can generally be used to treat, prevent, or cure conditions in which an undesired activity of factor Xa and/or factor VIIa is present, or where inhibition of factor Xa and/or factor VIIa is intended. The invention further relates to processes for the preparation of these compounds, methods of their use (e.g., as active ingredients in pharmaceuticals), and pharmaceutical preparations comprising them.

  本发明涉及包含以下公式的化合物： R 0 —Q—X—Q′—W—U—V—G—M  (I) 这些化合物作为药物活性化合物是有用的。它们展现出抗血栓作用，并适用于例如治疗和预防心血管疾病，如血栓栓塞性疾病或再狭窄。这些化合物是血液凝固酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆性抑制剂，通常可用于治疗、预防或治愈存在因子Xa和/或因子VIIa不期望活性的情况，或旨在抑制因子Xa和/或因子VIIa的情况。本发明还涉及制备这些化合物的方法、它们的使用方法（例如，作为药品中的活性成分）以及包含它们的药物制剂。
• [EN] COMPOUNDS FOR THE TREATMENT OF HEPATITIS C<br/>[FR] COMPOSÉS UTILISABLES POUR LE TRAITEMENT DE L'HÉPATITE C
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2011112191A1

  公开（公告）日：2011-09-15

  The disclosure provides compounds of formula (I), including their salts, as well as compositions and methods of using the compounds. The compounds have activity against hepatitis C virus (HCV) and may be useful in treating those infected with HCV.

  本公开提供了公式(I)的化合物，包括它们的盐，以及使用这些化合物的组合物和方法。这些化合物对丙型肝炎病毒(HCV)具有活性，可能对治疗HCV感染者有益。
• Structure–activity relationships for inhibition of human 5α-reductases by polyphenols
  作者：Richard A. Hiipakka、Han-Zhong Zhang、Wei Dai、Qing Dai、Shutsung Liao

  DOI：10.1016/s0006-2952(02)00848-1

  日期：2002.3

  natural and synthetic polyphenolic compounds were more effective inhibitors of the type 1 than the type 2 isozyme, including alizarin, anthrarobin, gossypol, nordihydroguaiaretic acid, caffeic acid phenethyl ester, and octyl and dodecyl gallates. The presence of a catechol group was characteristic of almost all inhibitors that showed selectivity for the type 1 isozyme of 5α-reductase. Since some of these

  摘要类固醇5α-还原酶（EC 1.3.99.5）催化NADPH依赖性的多种3-oxo-Δ4类固醇双键双键还原，包括将睾丸激素转化为5α-二氢睾丸激素。在人类中，5α-还原酶活性对于男性性别分化的某些方面至关重要，并且可能参与良性前列腺增生，脱发，多毛症和前列腺癌的发展。某些天然产物包含的成分是5α-还原酶的抑制剂，例如绿茶儿茶素（-）-表没食子儿茶素没食子酸酯（EGCG）。EGCG在无细胞状态下显示出有效的抑制作用，但在5α-还原酶的全细胞分析中却没有。用长链脂肪酸代替EGCG中的没食子酸酯可产生有效的5α-还原酶抑制剂，该抑制剂在无细胞和全细胞分析系统中均具有活性。作为15α-还原酶有效抑制剂的其他类黄酮包括杨梅素，槲皮素，黄ical素和非瑟定。与1型同工酶相比，Biochanin A，黄豆苷元，染料木黄酮和山emp酚是2型抑制剂更好的抑制剂。几种其他天然和合成的多酚化合物比1型同功酶更
• PROTECTED FLUORESCENT REAGENT COMPOUNDS
  申请人：Pacific Biosciences of California, Inc.

  公开号：US20150050659A1

  公开（公告）日：2015-02-19

  Protected fluorescent reagent compounds and their methods of synthesis are provided. The compounds are useful in various fluorescence-based analytical methods, including the analysis of highly multiplexed optical reactions in large numbers at high densities, such as single molecule real time nucleic acid sequencing reactions. The compounds contain fluorescent dye elements, that allow the compounds to be detected with high sensitivity at desirable wavelengths, binding elements, that allow the compounds to be recognized specifically by target biomolecules, and protective shield elements, that decrease undesirable contacts between the fluorescent dye elements and the bound target biomolecules and that therefore decrease photodamage of the bound target biomolecules by the fluorescent dye elements.

  提供了受保护的荧光试剂化合物及其合成方法。这些化合物在各种基于荧光的分析方法中很有用，包括在高密度下对大量高度多重光学反应进行分析，例如单分子实时核酸测序反应。这些化合物包含荧光染料元素，使得这些化合物能够在理想波长下以高灵敏度被检测到，结合元素，使得这些化合物能够被特异性地识别目标生物分子，并且保护盾元素，减少荧光染料元素与结合的目标生物分子之间的不良接触，从而减少荧光染料元素对结合的目标生物分子造成的光损伤。