4-methyl-benzoic acid isopentyl ester

• 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: 4-methyl-benzoic acid isopentyl ester
• 英文别名: 4-Methyl-benzoesaeure-isopentylester；p-Toluylsaeureisoamylester；p-Toluic acid, 3-methylbutyl ester；3-methylbutyl 4-methylbenzoate
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: WDNOGGRIGNCXKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  15
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  异戊醇 、 对甲基苯甲酸 在 K5 作用下， 以 甲苯 为溶剂， 反应 6.0h， 以85%的产率得到4-methyl-benzoic acid isopentyl ester
  参考文献：
  名称：

  A Facile, Catalytic and Environmentally Benign Method for Esterification of Carboxylic Acids and Transesterification of Carboxylic Esters with Nearly Equimolar Amounts of Alcohols

  摘要：

  报道了一种实用且环保的化学工艺，使用K5CoW12O14·3H2O（0.1 mol%）作为催化剂，在良好的至优异的产率下进行羧酸与醇的酯化反应以及羧酸酯的转酯化反应。该催化剂展现出卓越的可重复使用活性。

  DOI：

  10.1055/s-2006-942456

文献信息

• Copper-Catalyzed and Indium-Mediated Methoxycarbonylation of Unactivated Alkyl Iodides with Balloon CO
  作者：Yanchi Chen、Lei Su、Hegui Gong

  DOI：10.1021/acs.orglett.9b01573

  日期：2019.6.21

  This work emphasizes the synthesis of alkyl esters via Cu-catalyzed and In-mediated alkoxycarbonylation of unactivated alkyl iodides in the presence of In or InI. The reactions were suitable for the preparation of primary, secondary, and even tertiary alkyl esters, representing an exceptionally rare example for the creation of quaternary carbon centers upon formation of esters. The preliminary mechanistic

  这项工作强调在In或InI的存在下，通过Cu催化和In介导的未活化烷基碘的烷氧基羰基化来合成烷基酯。该反应适合于伯，仲，甚至叔烷基酯的制备，代表了在形成酯时生成季碳中心的极为罕见的例子。初步的机理研究表明，涉及烷基自由基，而Cu / In / CO在羰基化事件中起着协同作用。
• HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES
  申请人：NITTO DENKO CORPORATION

  公开号：US20180002337A1

  公开（公告）日：2018-01-04

  This disclosure is related to photo-stable chromophores which are useful in various applications. Chromophores disclosed herein include a bis-triazole core, two electron-donors at C-4 and C-8, and two groups derived from pentaerythritol (R═OR 5 ) or 1,1,1-tris(hydroxymethyl)methane (R═H) at N-2 and N-6. Such structures have been proven to have greater then five times higher photo-stability than their analogs with simpler alkyl groups at N-2 and N-6.

  这项披露涉及在各种应用中有用的光稳定的色团。这里披露的色团包括一个双三唑核心，C-4和C-8处的两个电子给体，以及N-2和N-6处源自对羟基甲基苯甲醇（R═OR5）或1,1,1-三(羟甲基)甲烷（R═H）的两个基团。这样的结构已被证明比其N-2和N-6处具有更简单烷基基团的类似物具有五倍以上的光稳定性。
• [EN] COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES<br/>[FR] COMPOSÉS DE LIAISON À CDK2 COVALENTS UTILISÉS À DES FINS THÉRAPEUTIQUES
  申请人：UMBRA THERAPEUTICS INC

  公开号：WO2022187693A1

  公开（公告）日：2022-09-09

  Heteroaryl sulfonyl compounds and compositions that have a CDK2 Recognition Moiety bound to an electrophile for the selective covalent modification of CDK2 to treat CDK2-mediated disorders are described.

  本文描述了具有CDK2识别基团结合到亲电体的杂环磺酰化合物和组合物，用于选择性共价修饰CDK2以治疗CDK2介导的疾病。
• Highly photo-stable bis-triazole fluorophores
  申请人：NITTO DENKO CORPORATION

  公开号：US10005787B2

  公开（公告）日：2018-06-26

  This disclosure is related to photo-stable chromophores which are useful in various applications. Chromophores disclosed herein include a bis-triazole core, two electron-donors at C-4 and C-8, and two groups derived from pentaerythritol (R═OR5) or 1,1,1-tris(hydroxymethyl)methane (R═H) at N-2 and N-6. Such structures have been proven to have greater then five times higher photo-stability than their analogs with simpler alkyl groups at N-2 and N-6.

  本公开涉及在各种应用中有用的光稳定发色团。本文公开的发色团包括一个双三唑核心，C-4 和 C-8 处的两个电子供体，以及 N-2 和 N-6 处的两个来自季戊四醇（R═OR5）或 1,1,1-三（羟甲基）甲烷（R═H）的基团。事实证明，这种结构的光稳定性比 N-2 和 N-6 上含有较简单烷基的类似物高出五倍以上。
• [EN] HIGHLY PHOTO-STABLE BIS-TRIAZOLE FLUOROPHORES<br/>[FR] FLUOROPHORES BIS-TRIAZOLE HAUTEMENT PHOTO-STABLES
  申请人：NITTO DENKO CORP

  公开号：WO2016112220A1

  公开（公告）日：2016-07-14

  This disclosure is related to photo-stable chromophores which are useful in various applications. Chromophores disclosed herein include a bis-triazole core, two electron-donors at C-4 and C-8, and two groups derived from pentaerythritol (R = OR5) or 1,1,1-tris(hydroxymethyl)methane (R = H) at N-2 and N-6. Such structures have been proven to have greater then five times higher photo-stability than their analogs with simpler alkyl groups at N-2 and N-6.