2-(4-Methoxy-phenyl)-3-methyl-butyric acid methyl ester | 83022-73-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-Methoxy-phenyl)-3-methyl-butyric acid methyl ester
• 英文别名: Methyl 2-(4-methoxyphenyl)-3-methylbutanoate
• CAS: 83022-73-5
• 化学式: C₁₃H₁₈O₃
• 分子量: 222.284
• InChiKey: OGFHDKNRAMPXFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-Methoxy-phenyl)-3-methyl-butyric acid methyl ester 以36%的产率得到
  参考文献：
  名称：

  AHMAR, M.;GIRARD, C.;BLOCH, R., TETRAHEDRON LETT., 30,(1989) N0, C. 7053-7056

  摘要：

  DOI：
• 作为产物：
  描述：

  α-isopropyl-(4-methoxyphenyl)acetic acid 生成 2-(4-Methoxy-phenyl)-3-methyl-butyric acid methyl ester
  参考文献：
  名称：

  AHMAR, M.;GIRARD, C.;BLOCH, R., TETRAHEDRON LETT., 30,(1989) N0, C. 7053-7056

  摘要：

  DOI：

文献信息

• Amino Acid-Derived Ionic Chiral Catalysts Enable Desymmetrizing Cross-Coupling to Remote Acyclic Quaternary Stereocenters
  作者：Junqiang Wei、Vincent Gandon、Ye Zhu

  DOI：10.1021/jacs.3c04877

  日期：2023.8.2

  stereocenters through cross-coupling reactions at distal positions of aryl substituents. The new class of amino acid-derived ionic chiral catalysts enables desymmetrizing (enantiotopic-group-selective) Suzuki–Miyaura reaction, Sonogashira reaction, and Buchwald–Hartwig amination between diverse diarylmethane scaffolds and aryl, alkynyl, and amino coupling partners, providing rapid access to enantioenriched

  不对称催化的合成应用依赖于键构建的策略调整以产生目标分子的手性。远程去对称化提供了催化转化和立体元素生成的空间解耦的独特优势。然而，这种空间分离对于手性催化剂通过远离亲手性中心三个或更多键的反应来区分遥远的对映位点来说存在很大的困难。在这里，我们报告了一种通过芳基取代基远端位置的交叉偶联反应建立无环季碳立构中心的策略。新型氨基酸衍生的离子手性催化剂能够实现不同二芳基甲烷支架与芳基、炔基和氨基偶联伙伴之间的去对称（对映基团选择性）Suzuki-Miyaura反应、Sonogashira反应和Buchwald-Hartwig胺化，从而提供快速访问将取代基投射到三维空间中广泛分布的位置的对映体富集分子。实验和计算研究揭示了手性配体的 C 末端通过离子相互作用对底物进行静电转向。催化剂的酰胺基团和钾阳离子之间的协同离子偶极相互作用有助于预组织，从而将不对称性传递给产物。这项研究表明，通过设计离子催
• Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof
  申请人：SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED

  公开号：EP0048136A2

  公开（公告）日：1982-03-24

  A process for preparing an alpha-aromatic group substituted alkanoic acid or its ester of the general formula wherein Ar represents an aromatic group and R' represents a hydrogen atom or a saturated aliphatic group, or Ar and R1 may form a condensed ring together with the carbon atom to which they are bonded; and R2 represents a hydrogen atom, an alkyl group, or a hydroxyalkyl group. characterized in that an alpha-sulfonyloxyketone acetal of the general formula wherein R3 and R4, independently from each other, represent an alkyl group, or taken together, represent an alkylene group; R5 represents a substituted or unsubstituted alkyl group or an aromatic group; and Ar and R1 are as defined above, is hydrolyzed, or treated with an agent having affinity for oxygen: and novel intermediate compounds of the general formula (II) used in aforesaid process.

  一种通式为α-芳香族取代的烷酸或其酯的制备方法 其中 Ar 代表芳香族基团，R'代表氢原子或饱和脂肪族基团，或 Ar 和 R1 可与它们所键合的碳原子一起形成缩合环；R2 代表氢原子、烷基或羟烷基。 其特征在于通式的α-磺酰氧基酮缩醛 其中 R3 和 R4 独立地代表一个烷基，或合在一起代表一个亚烷基；R5 代表一个取代或未取代的烷基或芳香基；Ar 和 R1 如上所定义。
• Alpha-hydroxyketone acetals
  申请人：SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED

  公开号：EP0151702A2

  公开（公告）日：1985-08-21

  Alpha-hydroxyketone acetals of the formula: wherein Ar represents an aromatic group, R1 represents a hydrogen atom or a saturated aliphatic group, or Ar and R' form a condensed ring together with the carbon atom to which they are bonded, and R3 and R4 independently represent alkyl groups or together represent an alkylene group, subject to the proviso that Ar does not represent phenyl or 4-chlorophenyl when R' is a hydrogen atom. The acetals (VI) can be converted into alpha-sulfonyloxyketone acetals and thence into alpha-aromatic group substituted alkanoic acids or esters.

  式中：Ar 代表芳香族基团，R1 代表氢原子或饱和脂肪族基团，或 Ar 和 R' 与其键合的碳原子一起形成缩合环，R3 和 R4 独立地代表烷基或一起代表亚烷基，但 R' 为氢原子时，Ar 不代表苯基或 4-氯苯基。 缩醛 (VI) 可转化为α-磺酰氧基酮缩醛，然后转化为α-芳香族基团取代的烷酸或酯。
• [EN] HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF<br/>[FR] COMPOSÉ D'ACIDE HYDROXAMIQUE AYANT UNE ACTIVITÉ INHIBITRICE DE L'ENPP1 ET SON UTILISATION<br/>[ZH] 具有ENPP1抑制活性的异羟基肟酸类化合物及其用途
  申请人：[en]HAIHE BIOPHARMA CO., LTD.;[zh]上海海和药物研究开发股份有限公司

  公开号：WO2023036289A1

  公开（公告）日：2023-03-16

  公开具有ENPP1抑制活性的式(I)化合物、其药物组合物和用途。式(I)化合物可用于预防或治疗由ENPP1异常活性介导的那些疾病或障碍。
• Synthesis and evaluation of α,α′-disubstituted phenylacetate derivatives for T-type calcium channel blockers
  作者：Hyung Kook Lee、Yun Suk Lee、Eun Joo Roh、Hyewhon Rhim、Jae Yeol Lee、Kye Jung Shin

  DOI：10.1016/j.bmcl.2008.06.037

  日期：2008.8

  We have synthesized and evaluated alpha,alpha'-disubstituted phenylacetate derivatives that were designed as T-type calcium channel blockers. Among them, compound 10e (IC50 = 8.17 +/- 0.48 nM) showed the most potent T-type calcium current blocking activity and higher potency than Mibefradil (IC50 = 1.34 +/- 0.49 mu M). The PK profile and subtype selectivity over L-type calcium channel were satisfied for further animal assay using disease model. (c) 2008 Elsevier Ltd. All rights reserved.