2-(2-甲基苯基)-2-甲基丁醛 | 1024039-20-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(2-甲基苯基)-2-甲基丁醛
• 英文名称: 2-(2-methylphenyl)-2-methylbutyraldehyde
• 英文别名: 2-Methyl-2-(2-methylphenyl)butanal；2-methyl-2-(2-methylphenyl)butanal
• CAS: 1024039-20-0
• 化学式: C₁₂H₁₆O
• 分子量: 176.258
• InChiKey: SSLJHIBLHTUZSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-甲基丁醛 、 2-溴甲苯 在 1,2,3,4,5-五苯基-1′-(二叔丁基膦)二茂铁 、 Di-μ-chlorodiallylpalladium 、 caesium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以71%的产率得到2-(2-甲基苯基)-2-甲基丁醛
  参考文献：
  名称：

  [{Pd（烯丙基）Cl} 2]和dppf或Q-phos催化的钯与溴和氯代芳烃的醛催化α-芳基化反应。

  摘要：

  DOI：

  10.1002/anie.200705357

文献信息

• Allyl complexes for use in coupling reactions
  申请人：Colacot Thomas John

  公开号：US10167305B2

  公开（公告）日：2019-01-01

  A complex of formula (1), wherein, M is palladium or nickel, R1 and R2 are independently organic groups having 1-20 carbon atoms, or R1 and R2 are linked to form a ring structure with the phosphorus atom, R3 is selected from the group consisting of substituted and unsubstituted aryl, substituted and unsubstituted heteroaryl, and substituted and unsubstituted metallocenyl, R4 is an organic group having 1-20 carbon atoms, n is 0, 1, 2, 3, 4 or 5, X is an anionic ligand. A process for the preparation of the complex, and its use in carbon-carbon or carbon-nitrogen coupling reactions is also provided.

  一个公式复合物（1），其中，M为钯或镍，R1和R2分别是具有1-20个碳原子的有机基团，或者R1和R2连接形成与磷原子的环结构，R3从取代和未取代芳基、取代和未取代杂环基和取代和未取代金属茂基组成的群体中选择，R4是具有1-20个碳原子的有机基团，n为0、1、2、3、4或5，X为阴离子配体。还提供了一种制备该复合物的方法，以及其在碳-碳或碳-氮偶联反应中的用途。
• COMPLEXES
  申请人：Colacot Thomas John

  公开号：US20130165660A1

  公开（公告）日：2013-06-27

  A complex of formula (1), wherein, M is palladium or nickel, R 1 and R 2 are independently organic groups having 1-20 carbon atoms, or R 1 and R 2 are linked to form a ring structure with the phosphorus atom, R 3 is selected from the group consisting of substituted and unsubstituted aryl, substituted and unsubstituted heteroaryl, and substituted and unsubstituted metallocenyl, R 4 is an organic group having 1-20 carbon atoms, n is 0, 1, 2, 3, 4 or 5, X is an anionic ligand. A process for the preparation of the complex, and its use in carbon-carbon or carbon-nitrogen coupling reactions is also provided.

  该复合物的化学式为（1），其中，M为钯或镍，R1和R2分别为具有1-20个碳原子的有机基团，或者R1和R2连接成环状结构与磷原子相连，R3选自取代和未取代芳基、取代和未取代杂环芳基以及取代和未取代金属茂基，R4为具有1-20个碳原子的有机基团，n为0、1、2、3、4或5，X为阴离子配体。还提供了制备该复合物的方法及其在碳-碳或碳-氮偶联反应中的应用。
• PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS
  申请人：Johnson Matthey Public Limited Company

  公开号：EP3613504A1

  公开（公告）日：2020-02-26

  The present invention provides a complex of formula (1), wherein, M is palladium or nickel, R1 and R2 are independently organic groups having 1-20 carbon atoms, or R1 and R2 are linked to form a ring structure with the phosphorus atom, R3 is selected from the group consisting of substituted and unsubstituted aryl, substituted and unsubstituted heteroaryl, and substituted and unsubstituted metallocenyl, R4 is an organic group having 1-20 carbon atoms, n is 0, 1, 2, 3, 4 or 5, X is an anionic ligand. The invention also provides a process for the preparation of the complex, and its use in carbon-carbon or carbon-nitrogen coupling reactions.

  本发明提供了一种式（1）的配合物，其中，M 是钯或镍；R1 和 R2 独立地是具有 1-20 个碳原子的有机基团，或 R1 和 R2 与磷原子连接形成环状结构；R3 选自取代和未取代的芳基、取代和未取代的杂芳基、取代和未取代的茂金属基组成的组；R4 是具有 1-20 个碳原子的有机基团；n 是 0、1、2、3、4 或 5；X 是阴离子配体。本发明还提供了制备该配合物的工艺及其在碳-碳或碳-氮偶联反应中的用途。
• Complexes
  申请人：Johnson Matthey Public Limited Company

  公开号：US20190016742A1

  公开（公告）日：2019-01-17

  The present invention provides a complex of formula (1), wherein, M is palladium or nickel, R 1 and R 2 are independently organic groups having 1-20 carbon atoms, or R 1 and R 2 are linked to form a ring structure with the phosphorus atom, R 3 is selected from the group consisting of substituted and unsubstituted aryl, substituted and unsubstituted heteroaryl, and substituted and unsubstituted metallocenyl, R 4 is an organic group having 1-20 carbon atoms, n is 0, 1, 2, 3, 4 or 5, and X is an anionic ligand. The invention also provides a process for the preparation of the complex, and its use in carbon-carbon or carbon-nitrogen coupling reactions.
• [EN] COMPLEXES<br/>[FR] COMPLEXES
  申请人：JOHNSON MATTHEY PLC

  公开号：WO2011161451A1

  公开（公告）日：2011-12-29

  The present invention provides a complex of formula (1), wherein, M is palladium or nickel, R1 and R2 are independently organic groups having 1-20 carbon atoms, or R1 and R2 are linked to form a ring structure with the phosphorus atom, R3 is selected from the group consisting of substituted and unsubstituted aryl, substituted and unsubstituted heteroaryl, and substituted and unsubstituted metallocenyl, R4 is an organic group having 1-20 carbon atoms, n is 0, 1, 2, 3, 4 or 5, X is an anionic ligand. The invention also provides a process for the preparation of the complex, and its use in carbon-carbon or carbon-nitrogen coupling reactions.