2,6-di-tert-butyl-4-methylphenyl benzoate | 30392-17-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2,6-di-tert-butyl-4-methylphenyl benzoate
• 英文别名: (2,6-Ditert-butyl-4-methylphenyl) benzoate
• CAS: 30392-17-7
• 化学式: C₂₂H₂₈O₂
• 分子量: 324.463
• InChiKey: VCYQTSXSFJJKAW-UHFFFAOYSA-N

物化性质

• 沸点：
  436.6±34.0 °C(Predicted)
• 密度：
  1.006±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 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：

  2,6-二叔丁基-4-甲基苯酚 在 sodium-potassium alloy 、 乙醚 作用下， 生成 2,6-di-tert-butyl-4-methylphenyl benzoate
  参考文献：
  名称：

  The Hindered Phenols

  摘要：

  DOI：

  10.1021/ja01218a045

文献信息

• Photochemical Activation of Aromatic Aldehydes: Synthesis of Amides, Hydroxamic Acids and Esters
  作者：Nikolaos F. Nikitas、Mary K. Apostolopoulou、Elpida Skolia、Anna Tsoukaki、Christoforos G. Kokotos

  DOI：10.1002/chem.202100655

  日期：2021.5.20

  the activation of aromatic aldehydes has been developed. Utilizing thioxanthen-9-one as the photocatalyst and cheap household lamps as the light source, a variety of aromatic aldehydes have been activated and subsequently converted in a one-pot reaction into amides, hydroxamic acids and esters in good to high yields. The applicability of this method was highlighted in the synthesis of Moclobemide, a

  已经开发了用于芳族醛活化的便宜，容易且无金属的光化学方案。利用噻吨酮-9-one作为光催化剂，使用廉价的家用灯作为光源，已活化了多种芳香醛，然后通过一锅法将其转化为酰胺，异羟肟酸和酯，产率高至高。该方法的适用性在抗抑郁和社交焦虑药物莫氯贝胺的合成中得到了强调。为了确定该反应的合理机制，已经进行了详细的机理研究。
• Ni(II)-Mediated Photochemical Oxidative Esterification of Aldehydes with Phenols
  作者：Lu-Lu Chai、You-Hui Zhao、David James Young、Xinhua Lu、Hong-Xi Li

  DOI：10.1021/acs.orglett.2c02560

  日期：2022.9.30

  The photopromoted, Ni-catalyzed acceptorless dehydrogenation esterification of phenols and aromatic aldehydes has been achieved in an oxidant- and external photosensitizer-free manner. This reliable and atom-economical transformation was tolerant to a wide range of functional groups and proceeded efficiently to give various aryl benzoates in moderate to high yields. Additionally, this photocatalytic

  酚和芳香醛的光促进、Ni 催化的无受体脱氢酯化反应以无氧化剂和无外部光敏剂的方式实现。这种可靠且原子经济的转化对广泛的官能团具有耐受性，并有效地进行，以中等至高产率得到各种苯甲酸芳基酯。此外，该光催化体系在采用双镍和芳香醛催化的脂肪醛和苯酚的析氢交叉偶联方面表现出高活性。
• Visible Light-Induced Hydroacylation of Benzylidenemalononitriles with Aroyl Chlorides Using Silane as a Hydrogen Donor
  作者：Ming-Lin Yang、Chun-Lin Dong、Zhi Guan、Yan-Hong He

  DOI：10.1021/acs.joc.3c02616

  日期：2024.1.19

  chlorides are employed as a readily available and affordable source of acyl groups, while commercially available tris(trimethylsilyl)silane acts as both the hydrogen atom donor and electron donor. By eliminating the requirement for complex synthesis of acyl precursors and hydrogen atom-transfer (HAT) reagents, this approach offers a convenient and efficient strategy for the hydroacylation of benzylidenemalononitriles

  描述了一种新颖的光氧化还原催化的亚苄基丙二腈的直接加氢酰化反应。在该方法中，芳酰氯被用作容易获得且负担得起的酰基来源，而市售的三(三甲基甲硅烷基)硅烷既充当氢原子供体又充当电子供体。通过消除对酰基前体和氢原子转移（HAT）试剂的复杂合成的需要，该方法为亚苄基丙二腈的加氢酰化提供了一种方便且有效的策略。
• Silver-catalyzed decarboxylative cross-coupling of α-keto acids with alkenes giving approach to chalcones
  作者：Shang Wu、Hongheng Yu、Qinzheng Hu、Quanlu Yang、Shouwang Xu、Tian Liu

  DOI：10.1016/j.tetlet.2017.11.005

  日期：2017.12

  A silver-catalyzed decarboxylative cross-coupling of alpha-keto acids with alkenes is reported. The method, with a wide range of substrate tolerance and mild operational conditions, can produce various chalcone derivatives in moderate to high yields from easily available starting materials. (C) 2017 Elsevier Ltd. All rights reserved.
• DE1922815
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