N-benzyl-3-tert-butylaniline | 1393834-99-5

• 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: N-benzyl-3-tert-butylaniline
• CAS: 1393834-99-5
• 化学式: C₁₇H₂₁N
• 分子量: 239.36
• InChiKey: IOMWYOSRZQGEQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-叔丁基苯酚 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 二异丙胺 、 cesium fluoride 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 、 二氯甲烷 、 乙腈 为溶剂， 反应 91.5h， 生成 N-benzyl-3-tert-butylaniline
  参考文献：
  名称：

  Steric Effects Compete with Aryne Distortion To Control Regioselectivities of Nucleophilic Additions to 3-Silylarynes

  摘要：

  We report an experimental and computational study of 3-silylarynes. The addition of nucleophiles yield ortho-substituted products as a result of aryne distortion, but meta-substituted products form predominately when the nucleophile is large. Computations correctly predict the preferred site of attack observed in both nucleophilic addition and cycloaddition experiments. Nucleophilic additions to 3-tert-butylbenzyne, which is not significantly distorted, give meta-substituted products.

  DOI：

  10.1021/ja306723r

文献信息

• ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANER DRUGS
  申请人：National Taiwan University

  公开号：US20140080848A1

  公开（公告）日：2014-03-20

  A series of mono- and di-substituted quinazoline and pyrimidine derivatives based on the skeleton of erlotinib (an EGFR inhibitor) were synthesized and their bioactivities against hepatocellular carcinoma and human lung adenocarcinoma were evaluated.

  基于厄洛替尼（一种EGFR抑制剂）骨架合成了一系列单取代和双取代的喹唑啉和嘧啶衍生物，并评估了它们对肝细胞癌和人类肺腺癌的生物活性。
• Transition metal complex ligand and olefin polymerization catalyst containing transition metal complex
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP2272852A1

  公开（公告）日：2011-01-12

  The invention provides a transition metal complex of formula (3) below: wherein R1, R2, R3, R4, R5, R6, R7 and R8 are the same or different and each independently represents a hydrogen atom, a halogen atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); R5 represents a hydrogen atom, a fluorine atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); X1 represents a hydrogen atom, a halogen atom or a substituted or unsubstituted alkyl group having 1 to 10 carbon atom(s); L represents a balancing counter ion or neutral ligand similar to X1 that is bonding or coordinating to metal M; and q represents an integer of 0 or 1, and G20 represents any one of G21 to G 26 below: where A1 represent an element of Group 15 of the periodic table, wherein A1 in G23 represents an anion of an element of Group 15 of the periodic table, and A1 in G21 represents a nitrogen atom; R9, R14, R12, R13, R19, R20, R10, R11, R15, R16, R17, R18, R19, R20, R31 and R22 each independently represents, a hydrogen atom; or a substituted or unsubstituted alkyl groups having 1 to 10 carbon atom(s), and the line linking M and R20 represents that M is coordinated or linked to an element of Group 15 or 16 of the periodic table or to a fluorine atom constituting R20.

  本发明提供了下式（3）的过渡金属配合物： 其中 R1、R2、R3、R4、R5、R6、R7 和 R8 相同或不同，且各自独立地代表氢原子、卤素原子或具有 1 至 10 个碳原子的取代或未取代的烷基；R5 代表氢原子、氟原子或具有 1 至 10 个碳原子的取代或未取代的烷基；X1 代表氢原子、卤素原子或具有 1 至 10 个碳原子的取代或未取代的烷基； L 代表与 X1 类似的平衡配位离子或中性配位体，与金属 M 结合或配位；以及 q 代表 0 或 1 的整数，且 G20 代表下文 G21 至 G 26 中的任一个： 其中 A1 代表元素周期表中第 15 族元素，G23 中的 A1 代表元素周期表中第 15 族元素的阴离子，G21 中的 A1 代表氮原子； R9、R14、R12、R13、R19、R20、R10、R11、R15、R16、R17、R18、R19、R20、R31 和 R22 各自独立地代表、 一个氢原子；或 具有 1 至 10 个碳原子的取代或未取代的烷基，以及 连接 M 和 R20 的直线代表 M 与元素周期表中的第 15 或 16 族元素或构成 R20 的氟原子配位或连接。
• ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS
  申请人：National Yang-Ming University

  公开号：US20150246891A1

  公开（公告）日：2015-09-03

  A series of mono- and di-substituted quinazoline and pyrimidine derivatives based on the skeleton of erlotinib (an EGFR inhibitor) were synthesized and their bioactivities against hepatocellular carcinoma and human lung adenocarcinoma were evaluated.
• US9394261B2
  申请人：——

  公开号：US9394261B2

  公开（公告）日：2016-07-19