2-烯丙基-6-异丙基苯胺 | 368891-62-7

• 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-烯丙基-6-异丙基苯胺
• 英文名称: 2-allyl-6-isopropyl-aniline
• 英文别名: 2-Allyl-6-isopropylaniline；2-propan-2-yl-6-prop-2-enylaniline
• CAS: 368891-62-7
• 化学式: C₁₂H₁₇N
• mdl: MFCD18824769
• 分子量: 175.274
• InChiKey: AXXQOYPXPMCMNU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-烯丙基-6-异丙基苯胺 在 10percent Pd/C 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、689.49 kPa 条件下， 反应 67.0h， 生成
  参考文献：
  名称：

  Single-Site β-Diiminate Zinc Catalysts for the Alternating Copolymerization of CO₂ and Epoxides:  Catalyst Synthesis and Unprecedented Polymerization Activity

  摘要：

  Synthetic routes to zinc ss -diiminate complexes are reported. The synthesis of 11 ss -diimine [(BDI)H] ligands, with varying N-aryl substituents and bridging structures, is described. These ligands are converted to (BDI)ZnX complexes (X = OAc. Et. N(SiMe3)(2), Br, Cl, OH, OMe, (OPr)-Pr-i). X-ray structural data revealed that all zinc complexes examined exist as mu -X-bridged dimers in the solid state, with the exception of the zinc ethyl and amido complexes which were monomeric. Complexes of the form (BDI)ZnOR (R = alkyl, acyl) and (BDI)ZnN(SiMe3)(2) are highly active catalysts for the alternating copolymerization of epoxides and CO2. Copolymerizations of cyclohexene oxide (CHO) and CO2 with (BDI-1)ZnX [(BDI-1) = 2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-pentene)] and (BDI-2)ZnX [(BDI-2) = 2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-pentene)], where X = OAc, Et, N(SiMe3)(2), Br, Cl, OH, OMe, (OPr)-Pr-i, were attempted at 50 degreesC and 100 Psi CO2. Complexes with X = OAc, N(SiMe3)(2), OMe, (OPr)-Pr-i all produced polycarbonate by the alternated insertion of CHO and CO2 with similar catalytic activities, comparable molecular weights, and narrow molecular weight distributions (MWD similar to 1.1), indicating the copolymerizations are living. Furthermore, ligand effects were shown to dramatically influence the polymerization activity as minor steric changes accelerated or terminated the polymerization activity.

  DOI：

  10.1021/ja003850n
• 作为产物：
  描述：

  2-异丙基苯胺 在 sodium carbonate 、 zinc(II) chloride 作用下， 以 氯仿 、 xylene 为溶剂， 反应 16.0h， 生成 2-烯丙基-6-异丙基苯胺
  参考文献：
  名称：

  Single-Site β-Diiminate Zinc Catalysts for the Alternating Copolymerization of CO₂ and Epoxides:  Catalyst Synthesis and Unprecedented Polymerization Activity

  摘要：

  Synthetic routes to zinc ss -diiminate complexes are reported. The synthesis of 11 ss -diimine [(BDI)H] ligands, with varying N-aryl substituents and bridging structures, is described. These ligands are converted to (BDI)ZnX complexes (X = OAc. Et. N(SiMe3)(2), Br, Cl, OH, OMe, (OPr)-Pr-i). X-ray structural data revealed that all zinc complexes examined exist as mu -X-bridged dimers in the solid state, with the exception of the zinc ethyl and amido complexes which were monomeric. Complexes of the form (BDI)ZnOR (R = alkyl, acyl) and (BDI)ZnN(SiMe3)(2) are highly active catalysts for the alternating copolymerization of epoxides and CO2. Copolymerizations of cyclohexene oxide (CHO) and CO2 with (BDI-1)ZnX [(BDI-1) = 2-((2,6-diisopropylphenyl)amido)-4-((2,6-diisopropylphenyl)imino)-2-pentene)] and (BDI-2)ZnX [(BDI-2) = 2-((2,6-diethylphenyl)amido)-4-((2,6-diethylphenyl)imino)-2-pentene)], where X = OAc, Et, N(SiMe3)(2), Br, Cl, OH, OMe, (OPr)-Pr-i, were attempted at 50 degreesC and 100 Psi CO2. Complexes with X = OAc, N(SiMe3)(2), OMe, (OPr)-Pr-i all produced polycarbonate by the alternated insertion of CHO and CO2 with similar catalytic activities, comparable molecular weights, and narrow molecular weight distributions (MWD similar to 1.1), indicating the copolymerizations are living. Furthermore, ligand effects were shown to dramatically influence the polymerization activity as minor steric changes accelerated or terminated the polymerization activity.

  DOI：

  10.1021/ja003850n

文献信息

• Pd-Catalyzed Intramolecular Aminoalkylation of Unactivated Alkenes: Access to Diverse <i>N</i>-Heterocycles
  作者：Liu Ye、Kai-Yip Lo、Qiangshuai Gu、Dan Yang

  DOI：10.1021/acs.orglett.6b03295

  日期：2017.1.20

  A highly efficient palladium-catalyzed intramolecular aminoalkylation of unactivated alkenes in the absence of an external ligand and oxidant is described. New C–N and C(sp3)–C(sp3) bonds are formed simultaneously. This general transformation allows for construction of diverse N-heterocycles. Mechanistic studies show that the process may involve a four-membered Pd(alkyl)amido intermediate.

  描述了在不存在外部配体和氧化剂的情况下未活化的烯烃的高效钯催化的分子内氨基烷基化。同时形成新的C–N和C（sp 3）–C（sp 3）键。这种一般的转变允许构建不同的N-杂环。机理研究表明，该过程可能涉及四元Pd（烷基）酰胺基中间体。
• KRAS G12C INHIBITORS AND METHODS OF USING THE SAME
  申请人：Amgen Inc.

  公开号：US20190374542A1

  公开（公告）日：2019-12-12

  Provided herein are KRAS G12C inhibitors, such as composition of the same, and methods of using the same. These inhibitors are useful for treating a number of disorders, including pancreatic, colorectal, and lung cancers.

  本文提供了KRAS G12C抑制剂，例如其组成，以及使用这些抑制剂的方法。这些抑制剂对治疗多种疾病有用，包括胰腺癌、结肠癌和肺癌。
• [EN] TRANSITION METAL-COMPLEX CATALYSTS HAVING APPENDED GROUP 13 LEWIS ACIDS AND RELATED POLYMERIZATION METHODS<br/>[FR] CATALYSEURS DE COMPLEXES DE MÉTAUX DE TRANSITION AYANT DES ACIDES DE LEWIS DU GROUPE 13 ANNEXÉS ET PROCÉDÉS DE POLYMÉRISATION ASSOCIÉS
  申请人：EXXONMOBIL CHEMICAL PATENTS INC

  公开号：WO2021222018A1

  公开（公告）日：2021-11-04

  Compositions may comprise symmetrical and asymmetrical pyridine-containing transition metal-complexes having appended group (13) Lewis acids positioned on the pyridine-containing ligands of the transition metal-complex such that the group (13) Lewis acid may be near the catalytic site, thereby allowing the appended group (13) Lewis acid to function more efficiently in promoting formation of a catalyticaiiy active species. Catalysts systems may comprise these symmetrical and asymmetrical pyridine-containing transition metal-complexes and methods of preparing polyolefins may use these catalyst systems.

  组合物可能包括对称和非对称的含吡啶过渡金属配合物，具有附加在过渡金属配合物的吡啶配体上的第13族路易斯酸基团，使得第13族路易斯酸基团可能靠近催化位点，从而使附加的第13族路易斯酸基团在促进催化活性物种形成时更有效地发挥作用。催化剂系统可能包括这些对称和非对称的含吡啶过渡金属配合物，制备聚烯烃的方法可以使用这些催化剂系统。
• Metal–ligand bifunctional activation and transfer of N–H bonds
  作者：Kilian Muñiz、Anton Lishchynskyi、Jan Streuff、Martin Nieger、Eduardo C. Escudero-Adán、Marta Martínez Belmonte

  DOI：10.1039/c1cc10999e

  日期：——

  The concept of metal–ligand bifunctionality can be employed for an efficient activation of N–H bonds by well-defined ruthenium amido complexes. An enantioselective catalytic aza-Michael reaction was developed on the basis of this process, which gives rise to indoline β-amino acids.

  金属配体双功能性的概念可用于定义明确的钌氨基配合物对 NH 键的有效活化。在这一过程的基础上，开发出了一种对映体选择性催化氮杂迈克尔反应，从而产生了吲哚啉δ-氨基酸。
• KRAS G12C INHIBITORS ENCOMPASSING A PIPERAZINE RING AND USE THEREOF IN THE TREATMENT OF CANCER
  申请人：Amgen Inc.

  公开号：EP3807276A2

  公开（公告）日：2021-04-21