2-(3-butylphenyl)pyridine | 1437996-46-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(3-butylphenyl)pyridine
• CAS: 1437996-46-7
• 化学式: C₁₅H₁₇N
• 分子量: 211.307
• InChiKey: DDPCMEOZDUIAHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(3-butylphenyl)pyridine 以 甲醇 、 水 、 乙腈 为溶剂， 反应 4.5h， 生成 [Au^III(2-(3-n-butylphenyl)pyridine)(diethyldithiocarbamate)]PF₆
  参考文献：
  名称：

  Deubiquitinases as potential anti-cancer targets for gold(iii) complexes

  摘要：

  一组[AuIII(C⁁N)(R2NCS2)]+（HC⁁N = 2-苯基吡啶）复合物显示出显著的去泛素酶（DUBs）抑制活性；其中一种复合物对乳腺癌细胞显示出选择性体外细胞毒性，这与金的高细胞吸收率有关，并诱导细胞周期停滞、细胞凋亡和抗血管生成特性，这可能与 DUB 抑制活性有关。

  DOI：

  10.1039/c3cc41766b
• 作为产物：
  描述：

  苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 N-溴代丁二酰亚胺(NBS) 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 作用下， 以 乙醚 、 N,N-二甲基乙酰胺 为溶剂， 反应 32.5h， 生成 2-(3-butylphenyl)pyridine
  参考文献：
  名称：

  钌催化剂对芳烃的直接亚选择性溴化

  摘要：

  钌催化的直接Ç  ħ激活/元芳烃轴承吡啶基，嘧啶基和吡唑基定位基团的-bromination已经研制成功。已经合成了一系列溴代芳基吡啶和嘧啶，并且对于许多代表性的官能化芳烃也已经证明了进一步的偶联反应。初步的机理研究表明，当使用NBS作为溴源时，该反应可能通过自由基介导的溴化反应进行。这种类型的变换已经用于开辟了新的方向上的基团的非本位关于未来的C金属的官能 ħ激活开发将允许芳族系统的远程官能化。

  DOI：

  10.1002/anie.201507100

文献信息

• High-Valent Pentamethylcyclopentadienylcobalt(III) or -iridium(III)-Catalyzed CH Annulation with Alkynes: Synthesis of Heterocyclic Quaternary Ammonium Salts
  作者：Ye-Xing Lao、Shang-Shi Zhang、Xu-Ge Liu、Chun-Yong Jiang、Jia-Qiang Wu、Qingjiang Li、Zhi-Shu Huang、Honggen Wang

  DOI：10.1002/adsc.201600194

  日期：2016.6.30

  Nine types of diversely fused heterocyclic quaternary ammonium salts were constructed through an oxidative CH annulation reaction. Both high‐valent pentamethylcyclopentadienylcobalt(III) and pentamethylcyclopentadienyliridium(III) were found to be effective as catalyst for this reaction. Broad substrate scope and good functional group tolerance were observed.

  通过氧化CH环化反应构建了九种类型的稠合杂环季铵盐。发现高价五甲基环戊二烯基钴（III）和五甲基环戊二烯基铱（III）均可有效用作该反应的催化剂。观察到较宽的底物范围和良好的官能团耐受性。
• Investigations of the generality of quaternary ammonium salts as alkylating agents in direct C–H alkylation reactions: solid alternatives for gaseous olefins
  作者：David Schönbauer、Manuel Spettel、Robert Pollice、Ernst Pittenauer、Michael Schnürch

  DOI：10.1039/c9ob00243j

  日期：——

  C–H alkylation reactions using short chain olefins as alkylating agents could be operationally simplified on the lab scale by using quaternary ammonium salts as precursors for these gaseous reagents: Hofmann elimination delivers in situ the desired alkenes with the advantage that the alkene concentration in the liquid phase is high. In case a catalytic system did not tolerate the conditions for Hofmann

  通过使用季铵盐作为这些气态试剂的前体，可以在实验室规模上简化使用短链烯烃作为烷基化剂的C–H烷基化反应：霍夫曼消除法原位递送所需的烯烃，其优点是液体中的烯烃浓度相位高。如果催化体系不能耐受霍夫曼消除的条件，则可以实现霍夫曼消除和直接烷基化这两个反应的非常简单的空间分离，从而避免可能的副反应或催化剂失活。另外，可以通过使用这种方法来鉴定铑（I）介导的烷基化反应的真正催化活性的种类。
• Lewis Base Directed Cycloaddition Reactions of 2-Pyrones and Alkynylaluminum Reagents
  作者：Damien F. Crépin、Joseph P. A. Harrity

  DOI：10.1021/ol401952k

  日期：2013.8.16

  In situ generated alkynylaluminum reagents have been utilized in a [4 + 2] cycloaddition with 2-pyrones bearing a Lewis basic donor. The reactions proceed at or below room temperature and with complete regiocontrol. This one-pot method affords diversely substituted aromatic compounds under very mild conditions.

  原位生成的炔基铝试剂已用于与带有路易斯碱性供体的 2-吡喃酮进行 [4 + 2] 环加成反应。反应在室温或低于室温下进行，并具有完全的区域控制。这种一锅法可在非常温和的条件下提供多种取代的芳香族化合物。
• Olefin polymerization catalyst systems and methods of use thereof
  申请人：Dow Global Technologies LLC

  公开号：US10968289B2

  公开（公告）日：2021-04-06

  Olefin polymerization catalyst systems are provided that include a procatalyst component having a metal-ligand complex of Formula (I): [formula] (I) where each X is a neutral, monoanionic, or dianionic, monodentate or polydentate ligand such that the complex of Formula (I) is neutral; each R1 and R10 is a (C6-C40)aryl, substituted (C6-C40)aryl, (C3-C40)heteroaryl, or substituted (C3-C40)heteroaryl; each R2, R3, R4, R7, R8, and R9 is a hydrogen; (C1-C40)hydrocarbyl; substituted (C1-C40)hydrocarbyl; (C1-C40)heterohydrocarbyl; substituted (C1-C40)heterohydrocarbyl; halogen; or nitro (NO2) group; and each R5 and R6 is a (C1-C)alkyl; substituted (C1-C40)alkyl; or [(Si)1—(C+Si)40] substituted organosilyl. Additionally, olefin-based polymers and processes for polymerizing one or more olefin-based polymers in the presence of the olefin polymerization catalyst systems are also provided.

  提供了烯烃聚合催化剂体系，该体系包括具有式（I）金属配体络合物的原催化剂组分：[式](I) 其中每个 X 是中性、单阴离子或二阴离子、单齿或多齿配体，使式 (I) 的络合物为中性；每个 R1 和 R10 是 (C6-C40)aryl 、取代的 (C6-C40)aryl 、(C3-C40)杂芳基或取代的 (C3-C40)heteroaryl ；每个 R2、R3、R4、R7、R8 和 R9 是氢；(C1-C40)烃基；取代的(C1-C40)烃基；(C1-C40)杂烃基；取代的(C1-C40)杂烃基；卤素；或硝基（NO2）；以及每个 R5 和 R6 是(C1-C)烷基；取代的(C1-C40)烷基；或[(Si)1-(C+Si)40]取代的有机硅基。此外，还提供了烯烃基聚合物和在烯烃聚合催化剂体系存在下聚合一种或多种烯烃基聚合物的工艺。
• OLEFIN POLYMERIZATION CATALYST SYSTEMS AND METHODS OF USE THEREOF
  申请人：Dow Global Technologies LLC

  公开号：US20200277411A1

  公开（公告）日：2020-09-03

  Olefin polymerization catalyst systems are provided that include a procatalyst component having a metal-ligand complex of Formula (I): [formula] (I) where each X is a neutral, monoanionic, or dianionic, monodentate or polydentate ligand such that the complex of Formula (I) is neutral; each R 1 and R 10 is a (C 6 -C 40 )aryl, substituted (C 6 -C 40 )aryl, (C 3 -C 40 )heteroaryl, or substituted (C 3 -C 40 )heteroaryl; each R 2 , R 3 , R 4 , R 7 , R 8 , and R 9 is a hydrogen; (C 1 -C 40 )hydrocarbyl; substituted (C 1 -C 40 )hydrocarbyl; (C 1 -C 40 )heterohydrocarbyl; substituted (C 1 -C 40 )heterohydrocarbyl; halogen; or nitro (NO 2 ) group; and each R 5 and R 6 is a (C 1 -C)alkyl; substituted (C 1 -C 40 )alkyl; or [(Si) 1 —(C+Si) 40 ] substituted organosilyl. Additionally, olefin-based polymers and processes for polymerizing one or more olefin-based polymers in the presence of the olefin polymerization catalyst systems are also provided.