2-ethyl-3-methyl-3-hydroxybutyric acid | 109106-81-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-ethyl-3-methyl-3-hydroxybutyric acid
• 英文别名: 2-ethyl-3-hydroxy-3-methyl-butyric acid；2-Aethyl-3-hydroxy-3-methyl-buttersaeure；2-Oxy-2-methyl-pentan-carbonsaeure-(3)；β-Oxy-α-aethyl-isovaleriansaeure；β-Oxy-β-methyl-pentan-γ-carbonsaeure；2-Methyl-3-methylsaeure-pentanol-(2)；2-Ethyl-3-hydroxy-3-methylbutanoic acid
• CAS: 109106-81-2
• 化学式: C₇H₁₄O₃
• 分子量: 146.186
• InChiKey: DIRHXPGALYKHLU-UHFFFAOYSA-N

物化性质

• 熔点：
  69-70 °C
• 沸点：
  257.3±23.0 °C(Predicted)
• 密度：
  1.069±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-ethyl-3-methyl-3-hydroxybutyric acid 在 4-二甲氨基吡啶 、 三氯溴甲烷 、 N,N'-二异丙基碳二亚胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 22.5h， 生成 3-bromo-2-methyl-2-pentanol
  参考文献：
  名称：

  A New Regioselective Synthesis of Vicinal Bromohydrins via Free Radical Decarboxylative Bromination of β-Hydroxycarboxylic Acids

  摘要：

  二异丙基碳二亚胺介导的 N-羟基吡啶-2(1H)-硫酮和δ-羟基羧酸之间的缩合反应产生了混合酸酐，在中性条件下，混合酸酐被区域选择性地转化为邻位溴化氢。

  DOI：

  10.1055/s-2003-43379
• 作为产物：
  描述：

  丁酸乙酯 、 丙酮 在 氢氧化钾 作用下， 生成 2-ethyl-3-methyl-3-hydroxybutyric acid
  参考文献：
  名称：

  Gachokidse, 1949, vol. 10, p. 193,195

  摘要：

  DOI：

文献信息

• Inhibitors of Histone Deacetylase
  申请人：Moradei Oscar

  公开号：US20080132503A1

  公开（公告）日：2008-06-05

  The invention relates to the inhibition of histone deacetylase. The invention provides compounds and methods for inhibiting histone deacetylase enzymatic activity. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制组蛋白去乙酰化酶。本发明提供了抑制组蛋白去乙酰化酶酶活性的化合物和方法。本发明还提供了治疗细胞增殖性疾病和病症的组合物和方法。
• Substituted imidazoles, their preparation and pharmaceutical compositions containing the same
  申请人：Farmos-Yhtyma Oy

  公开号：EP0034473A2

  公开（公告）日：1981-08-26

  The invention provides compounds of the formula: wherein each of R1, R2 and R3, which can be the same or different is hydrogen, chloro, bromo, fluoro, methyl, ethyl, methoxv, amino, hydroxy or nitro; R4 is hydrogen or alkyl of 1 to 7 carbon atoms; X is (R5 is hydrogen or hydroxy) and n is 1-4; and their non-toxic pharmaceutically acceptable acid addition salts. These compounds exhibitvaluable pharmacological activity and are useful in the treatment of mammals, especially as anti- hypertensive agents. Furthermore, some of the compounds have proved to possess diuretic, ß-blocking activity and/or antithrombotic activity. The compounds may be made by a variety of methods and may be incorporated in pharmaceutical compositions also comprising a compatible pharmaceutically acceptable carrier.

  本发明提供了如下式的化合物： 其中 R1、R2 和 R3（可以相同或不同）各自是氢、氯、溴、氟、甲基、乙基、甲氧基、氨基、羟基或硝基；R4 是氢或 1 至 7 个碳原子的烷基；X 是 (R5 是氢或羟基）和 n 是 1-4；以及它们的无毒药学上可接受的酸加成盐。这些化合物具有宝贵的药理活性，可用于哺乳动物的治疗，特别是作为抗高血压药物。此外，其中一些化合物已被证明具有利尿、ß-阻断活性和/或抗血栓活性。这些化合物可以通过多种方法制得，并可掺入包含相容的药学上可接受的载体的药物组合物中。
• Substituted imidazole derivatives and their preparation and use
  申请人：Farmos-Yhtyma Oy

  公开号：EP0058047A1

  公开（公告）日：1982-08-18

  Compounds of the formula: wherein each of R1, R2 and R3, wnich can be the same or different, is hydrogen, chloro, bromo, fluoro, methyl, ethyl, methoxy, amino, hydroxy or nitro; R4 is hydrogen or alkyl of 1 to 7 carbon atoms; R5 is hydrogen or a straight or branched alkyl group of 1 to 5 carbon atoms or a phenyl group; and R6 is hydrogen or an alkyl group of 1 to 7 carbon atoms or a substituted or unsubstituted benzyl, X is -CH2-, -CHOH-or -CH=CH- and n is 0-4; provided that R5 and R6 are simultaneously hydrogen only when n is 4 and X is -CH=CH-; and their non-toxic pharmaceutically acceptable acid addition salts and mixtures thereof exhibit valuable pharmacological activity and are useful in the treatment of mammals, especially as antithrombotic agents. Furthermore. some of the compounds have proved to possess anti- hypertensive or β-btocking activity. Antimicrobial and antifungal properties have also been found. Processes for the preparation of these compounds are described, as are novel pharmaceutical compositions comprising at least one of the compounds of their salts.

  式中的化合物： 其中R1、R2和R3可以相同或不同，各自为氢、氯、溴、氟、甲基、乙基、甲氧基、氨基、羟基或硝基；R4为氢或1至7个碳原子的烷基；R5 是氢或 1 至 5 个碳原子的直链或支链烷基或苯基；R6 是氢或 1 至 7 个碳原子的烷基或取代或未取代的苄基，X 是-CH2-、-CHOH-或-CH=CH-，n 是 0-4；但只有当 n 为 4 且 X 为-CH=CH-时，R5 和 R6 才同时为氢；它们的无毒药学上可接受的酸加成盐及其混合物具有宝贵的药理活性，可用于哺乳动物的治疗，特别是作为抗血栓药物。此外，其中一些化合物已被证明具有抗高血压或β-阻滞活性。此外，还发现了抗菌和抗真菌特性。本文介绍了这些化合物的制备过程，以及包含至少一种化合物及其盐类的新型药物组合物。
• Substituted imidazole and imidazoline derivatives and their preparation and use
  申请人：Farmos-Yhtyma Oy

  公开号：EP0064820A1

  公开（公告）日：1982-11-17

  The invention provides novel compounds of the formu- ' la: wherein each of R1, R2 and R3, which can be the same or different, is hydrogen, chloro, bromo, fluoro, methyl, ethyl, methoxy, amino, hydroxy or nitro; R4 and R5, which can be the same or different, are hydrogen, an alkyl radical of 1 to 7 carbon atoms, hydroxymethyl or R6 is hydrogen, an alkyl radical of 1 to 7 carbon atoms or R7 and R8 are hydrogen, chloro or methyl; X is-CH=CH- or CHR9; Rg is hydrogen or hydroxy; n is 0-7 and m is 0-6; and their non-toxic pharmaceutically acceptable acid addition salts and mixtures thereof. Processes for the preparation of these compounds are described, as are novel pharmaceutical compositions comprising at least one of the compounds and their salts. The compounds and their non-toxic salts exhibit valuable pharmacological activity and are useful in the treatment of mammals, especially as antihypertensives and also as antithrombotic and antimycotic agents.

  本发明提供了如下形式的新型化合物： 其中 R1、R2 和 R3（可以相同或不同）分别为氢、氯、溴、氟、甲基、乙基、甲氧基、氨基、羟基或硝基；R4 和 R5（可以相同或不同）分别为氢、1 至 7 个碳原子的烷基、羟甲基或硝基。 R6 是氢、1 至 7 个碳原子的烷基或 R7和R8是氢、氯或甲基；X是-CH＝CH-或CHR9；Rg是氢或羟基；n是0-7，m是0-6；以及它们的无毒药学上可接受的酸加成盐及其混合物。本文描述了这些化合物的制备过程，以及包含至少一种化合物及其盐类的新型药物组合物。这些化合物及其无毒盐具有重要的药理活性，可用于哺乳动物的治疗，特别是作为抗高血压药以及抗血栓和抗霉菌药。
• Grignard, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1902, vol. 134, p. 851
  作者：Grignard

  DOI：——

  日期：——