(3-羟基-4-甲基-苯基)-乙酸 | 103262-83-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: (3-羟基-4-甲基-苯基)-乙酸
• 英文名称: (3-hydroxy-4-methyl-phenyl)-acetic acid
• 英文别名: (3-Hydroxy-4-methyl-phenyl)-essigsaeure；2-(3-Hydroxy-4-methylphenyl)acetic acid
• CAS: 103262-83-5
• 化学式: C₉H₁₀O₃
• mdl: MFCD05863285
• 分子量: 166.177
• InChiKey: JVWHEFWNYRUQMG-UHFFFAOYSA-N

物化性质

• 熔点：
  108-109 °C
• 沸点：
  348.9±27.0 °C(Predicted)
• 密度：
  1.262±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 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-羟基-4-甲基-苯基)-乙酸 在 硼烷四氢呋喃络合物 作用下， 以 1,4-二氧六环 为溶剂， 生成 5-(2-hydroxyethyl)-2-methylphenol
  参考文献：
  名称：

  [EN] SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME
  [FR] DÉRIVÉS DE SPIRO PIPÉRIDINE UTILISÉS EN TANT QU'INHIBITEURS DE APOL1 ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  The disclosure provides at least one compound, tautomer, deuterated derivative, or pharmaceutically acceptable salt chosen from compounds of Formula I, tautomers thereof, deuterated derivatives of those compounds or tautomers, and pharmaceutically acceptable salts of any of the foregoing, compositions comprising the same, and methods of using the same, including uses in treating APOL1-mediated diseases, including pancreatic cancer, focal segmental glomerulosclerosis (FSGS), and/or non-diabetic kidney disease (NDKD).

  公开号：

  WO2023154314A1
• 作为产物：
  描述：

  6-acetoxy-6-methylcyclohexa-2,4-dienone 在 哌啶 、 sodium hydroxide 作用下， 生成 (3-羟基-4-甲基-苯基)-乙酸
  参考文献：
  名称：

  Ultrasonographic, Axial, and Peripheral Measurements in Female Patients with Benign Hypermobility Syndrome

  摘要：

  Twenty-five female Caucasians, aged 19-57 years, with the hypermobility syndrome had bone density measurements using established noninvasive techniques such as dual X-ray absorptiometry (DXA), single photon absorptiometry (SPA), heel ultrasound (US), and peripheral computed tomography (pQCT) acquisitions of the radius. As a group, comparisons of the different bone indices with the corresponding age-matched reference population resulted in normal z-scores for the arial densities, however, values for the volumetric total and cortical bone at the radius measured by pQCT were significantly lower than expected (P < 0.0001). Spinal and femoral bone density results were significant after correction for body mass index (BMI). This cross-sectional study shows that the benign hypermobility syndrome patients have lowered t-scores for data reflecting bone structure and bone strength as measured with US and the tomographic technique.

  DOI：

  10.1007/s00223001093

文献信息

• Phenylacetic acid derivative, process for producing the same, and use
  申请人：Kusuda Shinya

  公开号：US20070105868A1

  公开（公告）日：2007-05-10

  The present invention relates to the compound represented by formula (I) (wherein R 1 and R 2 is hydrogen atom, C1-8 alkyl etc.; R 3 is C1-8 alkyl which may be substituted with 1 to 3 halogen atom(s), phenyl; R 4 is hydrogen atom etc.; R 5 and R 6 is hydrogen atom, C1-8 alkyl etc.; X is sulfur atom or oxygen atom etc.; ringA is cyclic group which may have a substituent(s).), or a salt thereof. Toxicity of the compound represented by formula (I) is very low, and it is safe enough to use as a pharmaceutical agent and since it has PPAR δ agonistic activity, it is useful as preventive and/or therapeutic agent for glucose.lipid metabolic disorder, hypertension, circulatory diseases etc.

  本发明涉及由式(I)表示的化合物（其中R1和R2是氢原子，C1-8烷基等；R3是C1-8烷基，可以被1至3个卤原子，苯基等取代；R4是氢原子等；R5和R6是氢原子，C1-8烷基等；X是硫原子或氧原子等；环A是可以具有取代基的环状基团），或其盐。式(I)表示的化合物的毒性非常低，足够安全用作制药剂，由于具有PPAR δ激动活性，因此可用于预防和/或治疗葡萄糖、脂质代谢障碍、高血压、循环系统疾病等。
• UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY
  申请人：Snyder Scott Alan

  公开号：US20140243404A1

  公开（公告）日：2014-08-28

  This disclosure is related to halonium compounds useful for cyclization of polyenes, alkenoic acids, and alkenyl alkyl ethers, and halogenation of aromatic compounds. The synthesis of such halonium compounds, compounds made using such halonium compounds, and synthesis of natural compounds, including decalins, using the halonium compounds is also disclosed. A representative halonium compound of the disclosure is:

  本披露涉及有用于多烯环化、烯酸和烯基烷醚环化以及芳香族化合物卤代的卤化物化合物。披露了这种卤化物化合物的合成、使用这种卤化物化合物制备的化合物以及使用卤化物化合物合成天然化合物，包括蒎烯。本披露的代表性卤化物化合物为：
• Macrocyclic NS3-serine protease inhibitors of hepatitis C virus comprising N-cyclic P2 moieties
  申请人：——

  公开号：US20020107181A1

  公开（公告）日：2002-08-08

  The present invention discloses novel macrocyclic compounds which have HCV protease inhibitory activity as well as methods for preparing such compounds. In another embodiment, the invention discloses pharmaceutical compositions comprising such macrocycles as well as methods of using them to treat disorders associated with the HCV protease.

  本发明揭示了具有HCV蛋白酶抑制活性的新型大环化合物，以及制备这些化合物的方法。在另一实施方案中，本发明揭示了包含这些大环化合物的药物组合物，以及使用它们治疗与HCV蛋白酶相关的疾病的方法。
• PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1666472B1

  公开（公告）日：2012-08-01
• Über die Michael-Reaktion mit Chinolacetaten, 3. Mitt.
  作者：W. Specht、F. Wessely

  DOI：10.1007/bf00902399

  日期：1959.9