3-(3-hydroxyphenyl)-2-methylpropanoic acid | 46207-82-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(3-hydroxyphenyl)-2-methylpropanoic acid
• 英文别名: m-Hydroxy-α-methyl-hydrozimtsaeure；3-Hydroxy-α-methylphenylpropionic acid；(+/-)-3-(3-hydroxy-phenyl)-2-methyl-propionic acid；(+/-)-3-(3-Hydroxy-phenyl)-2-methyl-propionsaeure；α-(3-Oxy-phenyl)-propan-β-carbonsaeure；β-(3-Oxy-phenyl)-isobuttersaeure；3-(3-Hydroxyphenyl)-2-methylpropionic acid
• CAS: 46207-82-3
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: ZTHRBJCNTAYZRE-UHFFFAOYSA-N

物化性质

• 沸点：
  354.0±17.0 °C(Predicted)
• 密度：
  1.211±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  3-(3-hydroxyphenyl)-2-methylpropanoic acid 在 一氯化碘 、 溶剂黄146 作用下， 生成 3-(3-羟基-2,4,6-三碘-苯基)-2-甲基-丙酸
  参考文献：
  名称：

  X-Ray Diagnostics. VII. Cholecystographic Agents¹

  摘要：

  DOI：

  10.1021/ja01101a029
• 作为产物：
  描述：

  3-(3-羟基苯基)-2-甲基丙烯酸 在 sodium amalgam 、 水 作用下， 生成 3-(3-hydroxyphenyl)-2-methylpropanoic acid
  参考文献：
  名称：

  Werner, Chemische Berichte, 1895, vol. 28, p. 1999

  摘要：

  DOI：

文献信息

• Weak, bidentate chelating group assisted cross-coupling of C(sp³)–H bonds in aliphatic acid derivatives with aryltrifluoroborates
  作者：Zhihua Cai、Shangda Li、Yuzhen Gao、Lei Fu、Gang Li

  DOI：10.1039/c8cc07481j

  日期：——

  A protocol of Pd(II)-catalyzed, weak bidentate directing group assisted β-C(sp3)–H activation/cross-coupling with organoboron reagents has been achieved, affording arylation of aliphatic acid derivatives that contain α-hydrogen atoms in moderate to good yields. The potential of this method for an asymmetric β-C(sp3)–H arylation via desymmetrization was also presented.

  已实现了由Pd（II）催化的弱双齿指导基团辅助的β-C（sp 3）-H活化/与有机硼试剂交叉偶联的方案，使含α-氢原子的脂肪族酸衍生物芳构化高产。还介绍了该方法通过去对称化进行不对称β-C（sp 3）-H芳构化的潜力。
• [EN] [7,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS<br/>[FR] COMPOSÉS ANTIDIABÉTIQUES BICYCLIQUES [7,6]-FUSIONNÉS
  申请人：MERCK SHARP & DOHME

  公开号：WO2016019863A1

  公开（公告）日：2016-02-11

  Novel compounds of the structural formula (I), and the pharmaceutically acceptable salts thereof, are agonists of G-protein coupled receptor 40 (GPR40) and may be useful in the treatment, prevention and suppression of diseases mediated by the G-protein-coupled receptor 40. The compounds of the present invention may be useful in the treatment of Type 2 diabetes mellitus, and of conditions that are often associated with this disease, including obesity and lipid disorders, such as mixed or diabetic dyslipidemia, hyperlipidemia, hypercholesterolemia, and hypertriglyceridemia.

  结构式(I)的新化合物及其药用盐是G蛋白偶联受体40（GPR40）的激动剂，并可能在治疗、预防和抑制由G蛋白偶联受体40介导的疾病方面发挥作用。本发明的化合物可能在治疗2型糖尿病以及与该疾病经常相关的病症方面发挥作用，包括肥胖和脂质紊乱，如混合性或糖尿病性脂质代谢异常、高脂血症、高胆固醇血症和高三酰甘油血症。
• TYROSINE DERIVATIVE AND METHOD FOR PRODUCING TYROSINE DERIVATIVE
  申请人：NARD Institute, Ltd.

  公开号：US20140187814A1

  公开（公告）日：2014-07-03

  The objective of the present invention is to provide a tyrosine derivative which is useful as a melatonin MT 1 receptor antagonist, and a method for producing a specific tyrosine derivative with high yield by efficiently introducing an iodine atom at the para position of the phenolic hydroxy group in the benzene ring of tyrosine with good regioselectivity. The tyrosine derivative of the present invention is characterized in being represented by the following formula (I): wherein R 1 is a protective group of the amino group and the like; R 2 is a protective group of the carboxy group and the like; R 3 is a hydrogen atom and the like; R 4 is a halogen atom and the like; A is —(CH 2 ) l —[Z(CH 2 ) m ] n —; X is a leaving group.

  本发明的目的是提供一种对苯酪氨酸衍生物，该衍生物可用作褪黑激素MT1受体拮抗剂，并通过在对苯酚羟基的苯环中有效地引入碘原子，以高产率生产具有良好区域选择性的特定对苯酪氨酸衍生物的方法。本发明的对苯酪氨酸衍生物的特征在于其由以下公式（I）表示：其中R1是氨基的保护基等；R2是羧基的保护基等；R3是氢原子等；R4是卤原子等；A是—(CH2)l—[Z(CH2)m]n—；X是离去基团。
• [EN] SUBSTITUTED BIPHENYL GPR40 MODULATORS<br/>[FR] MODULATEURS DU GPR40 À BIPHÉNYLE SUBSTITUÉ
  申请人：AMGEN INC

  公开号：WO2009048527A1

  公开（公告）日：2009-04-16

  The present invention provides compounds useful, for example, for treating metabolic disorders in a subject. Such compounds have the general formula I: where the definitions of the variables are provided herein. The present invention also provides compositions that include, and methods for using, the compounds in preparing medicaments and for treating metabolic disorders such as, for example, type II diabetes.

  本发明提供了一种有用的化合物，例如，用于治疗受试者的代谢紊乱。这些化合物具有一般公式I：其中变量的定义在此处提供。本发明还提供了包括这些化合物的组合物，以及使用这些化合物制备药物和治疗代谢紊乱的方法，例如II型糖尿病。
• NOVEL BICYCLIC NITROGEN CONTAINING HETEROARYL TGR5 RECEPTOR MODULATORS
  申请人：Robl Jeffrey A.

  公开号：US20140080788A1

  公开（公告）日：2014-03-20

  Novel compounds of Formula I:or an enantiomer, diastereomer, tautomer, prodrug or salt thereof, wherein m, Q, T, U, V, ring A, X, Y, R 3 , R 4 , R 4a , R 5a , R 5b , R 5c , R 5d , R 5e , R 6a , R 6b , and R 6c are defined herein, are provided which are TGR5 G protein-coupled receptor modulators. TGR5 G protein-coupled receptor modulators are useful in treating, preventing, or slowing the progression of diseases requiring TGR5 G protein-coupled receptor modulator therapy. Thus, the disclosure also concerns compositions comprising these novel compounds and methods of treating diseases or conditions related to the activity of the TGR5 G protein-coupled receptor by using any of these novel compounds or a composition comprising any of such novel compounds.

  本发明提供了一种公式I的新化合物：或其对映异构体、顺反异构体、互变异构体、前药或其盐，其中m、Q、T、U、V、环A、X、Y、R3、R4、R4a、R5a、R5b、R5c、R5d、R5e、R6a、R6b和R6c的定义如本文所述，这些化合物是TGR5 G蛋白偶联受体调节剂。 TGR5 G蛋白偶联受体调节剂在治疗、预防或减缓需要TGR5 G蛋白偶联受体调节剂治疗的疾病方面具有用途。因此，本公开还涉及包含这些新化合物的组合物以及使用任何这些新化合物或包含任何这些新化合物的组合物来治疗与TGR5 G蛋白偶联受体活性相关的疾病或病症的方法。