N-((1H-pyrrol-2-yl)methylene)-2-(diphenylphosphino)ethanamine | 1409949-77-4

• 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-((1H-pyrrol-2-yl)methylene)-2-(diphenylphosphino)ethanamine
• 英文别名: N-(2-diphenylphosphanylethyl)-1-(1H-pyrrol-2-yl)methanimine
• CAS: 1409949-77-4
• 化学式: C₁₉H₁₉N₂P
• 分子量: 306.347
• InChiKey: MLIHTLLKKIBYES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  28.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-((1H-pyrrol-2-yl)methylene)-2-(diphenylphosphino)ethanamine 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以50.9%的产率得到2-(diphenylphosphanyl)-N-(1H-pyrrol-2-ylmethyl)ethaneamine
  参考文献：
  名称：

  Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H₂

  摘要：

  这项研究描述了一系列带有PNX型配体（X = 杂环供体基团）的钌配合物，比较了它们在加氢和脱氢反应中的催化活性。

  DOI：

  10.1039/c5dt02226f
• 作为产物：
  描述：

  2-吡咯甲醛 、 2-(二苯基膦基)乙胺 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 N-((1H-pyrrol-2-yl)methylene)-2-(diphenylphosphino)ethanamine
  参考文献：
  名称：

  Probing the effect of heterocycle-bonding in PNX-type ruthenium pre-catalysts for reactions involving H₂

  摘要：

  这项研究描述了一系列带有PNX型配体（X = 杂环供体基团）的钌配合物，比较了它们在加氢和脱氢反应中的催化活性。

  DOI：

  10.1039/c5dt02226f

文献信息

• Novel nickel(II), palladium(II), and platinum(II) complexes having a pyrrolyl-iminophosphine (PNN) pincer: Synthesis, crystal structures, and cytotoxic activity
  作者：Youngwon Kim、Jinwook Lee、You-Hwa Son、Sang-Un Choi、Mahboob Alam、Soonheum Park

  DOI：10.1016/j.jinorgbio.2020.111015

  日期：2020.4

  M = Pt; X = Cl (5)) were prepared. The title complexes were characterized by various spectroscopic (IR, 1H, 13C, and 31P NMR) and elemental analyses. The molecular structures of 1, 2, and 5 have been established by single-crystal X-ray crystallography, demonstrating a distorted square planar geometry comprising two 5-membered metallacyclic rings. Complexes 1 and 2 were found to crystallize in the orthorhombic

  通过席夫碱反应已经制备了可以用作潜在的齿状配体的吡咯基-亚氨基膦（PNNH）。配合物[M（PNN）X]（M = Ni; X = Cl（1），Pd; X = Cl（2），Br（3），I（4），M = Pt; X = Cl（5））准备。通过各种光谱（IR，1H，13C和31P NMR）和元素分析对标题配合物进行表征。1、2和5的分子结构已通过单晶X射线晶体学确定，表明包含两个5元金属环的扭曲的方形平面几何形状。发现复合物1和2在正交晶中结晶，而复合物5在单斜晶中结晶。通过磺基罗丹明B测定法评估了该复合物与PNNH对A549（肺），SK-OV-3（卵巢），SM-MEL-2（皮肤）和HCT15（结肠）人癌细胞系的细胞毒性。值得注意的是 钯（II）配合物（2）表现出最高的活性。研究了2和5的半胱天冬酶抑制剂Z-VAD（Z-Val-Ala-Asp-氟甲基酮）对A549和HCT15癌细胞系的凋亡活性，以
• NON-CYCLOPENTADIENYL-BASED CHROMIUM CATALYSTS FOR OLEFIN POLYMERIZATION
  申请人：Christianson Matthew D.

  公开号：US20150148502A1

  公开（公告）日：2015-05-28

  Provided is a non-cyclopentadienyl-based chromium-ligand complex, preferably a chromium-ligand complex of formula (J): LCr(R A ) m (D) k (J), wherein L is a non-Cp monoanionic ligand; Cr (chromium) is in a formal oxidation state of +3 or +2; when Cr formally is Cr +3 , either m is 1 and R A is hydrocarbylene (a hydrocarbylene chromium-ligand complex of formula (J)) or m is 2 and each R A independently is hydrocarbyl (a dihydrocarbyl chromium-ligand complex of formula (J)), wherein each hydrocarbyl or hydrocarbylene of R A independently is unsubstituted or substituted by from 1 to 5 R AS ; each R AS independently is a neutral aprotic heteroalkyl, neutral aprotic heterocycloalkyl, neutral aprotic heteroaryl, or neutral aprotic aryl; when Cr formally is Cr +2 , m is 1 and R A is hydrocarbyl (a hydrocarbyl chromium-ligand complex of formula (J)); k is an integer of 0 or 1; D is absent when k is 0 or D is a neutral ligand when k is 1; wherein the chromium-ligand complex of formula (J) is overall neutral and lacks a cyclopentadienyl-based (Cp-based) moiety. Also provided is a chromium catalyst comprising or prepared from the complex. Also provided is a process of making the catalyst and a process employing the chromium catalyst for polymerizing the olefin monomer, especially a straight chain 1-alkene, to prepare the polyolefin, especially a partially chain-straightened poly(1-alkene) or olefin block copolymer. Further provided is the partially chain-straightened poly(1-alkene) or olefin block copolymer prepared thereby. Also provided is a high throughput workflow.

  提供的是一种非环戊二烯基铬配合物，优选为式（J）的铬配合物：LCr（RA）m（D）k（J），其中L是非Cp单阴离子配体；Cr（铬）处于+3或+2的形式氧化态；当Cr形式上为Cr+3时，m为1且RA为烃基亚烷基（式（J）的烃基亚烷基铬配合物）或m为2且每个RA独立为烃基（式（J）的二烃基铬配合物），其中每个RA的烃基或烃基亚烷基均为未取代或被1至5个RAS取代；每个RAS独立为中性无水脂肪族杂基、中性无水杂环脂肪族基、中性无水杂环芳基或中性无水芳基；当Cr形式上为Cr+2时，m为1且RA为烃基（式（J）的烃基铬配合物）；k为0或1的整数；当k为0时D不存在，当k为1时D为中性配体；其中式（J）的铬配合物总体上是中性的并且不含环戊二烯基（Cp基）结构。还提供了一种包含或由该配合物制备的铬催化剂。还提供了一种制备催化剂的方法以及使用铬催化剂聚合烯烃单体的方法，尤其是直链1-烯烃，以制备聚烯烃，特别是部分链条直化的聚（1-烯烃）或烯烃嵌段共聚物。还提供了由此制备的部分链条直化的聚（1-烯烃）或烯烃嵌段共聚物。还提供了一种高通量工作流程。
• Non-cyclopentadienyl-based chromium catalysts for olefin polymerization
  申请人：Christianson Matthew D.

  公开号：US09296836B2

  公开（公告）日：2016-03-29

  Provided is a non-cyclopentadienyl-based chromium-ligand complex, preferably a chromium-ligand complex of formula (J): LCr(RA)m(D)k (J), wherein L is a non-Cp monoanionic ligand; Cr (chromium) is in a formal oxidation state of +3 or +2; when Cr formally is Cr+3, either m is 1 and RA is hydrocarbylene (a hydrocarbylene chromium-ligand complex of formula (J)) or m is 2 and each RA independently is hydrocarbyl (a dihydrocarbyl chromium-ligand complex of formula (J)), wherein each hydrocarbyl or hydrocarbylene of RA independently is unsubstituted or substituted by from 1 to 5 RAS; each RAS independently is a neutral aprotic heteroalkyl, neutral aprotic heterocycloalkyl, neutral aprotic heteroaryl, or neutral aprotic aryl; when Cr formally is Cr+2, m is 1 and RA is hydrocarbyl (a hydrocarbyl chromium-ligand complex of formula (J)); k is an integer of 0 or 1; D is absent when k is 0 or D is a neutral ligand when k is 1; wherein the chromium-ligand complex of formula (J) is overall neutral and lacks a cyclopentadienyl-based (Cp-based) moiety. Also provided is a chromium catalyst comprising or prepared from the complex. Also provided is a process of making the catalyst and a process employing the chromium catalyst for polymerizing the olefin monomer, especially a straight chain 1-alkene, to prepare the polyolefin, especially a partially chain-straightened poly(1-alkene) or olefin block copolymer. Further provided is the partially chain-straightened poly(1-alkene) or olefin block copolymer prepared thereby. Also provided is a high throughput workflow.

  提供的是一种非环戊二烯基铬配体复合物，优选为公式（J）的铬配体复合物：LCr（RA）m（D）k（J），其中L是非Cp单负离子配体；Cr（铬）处于+3或+2的形式氧化态；当Cr形式上是Cr+3时，m为1且RA为烃基（公式（J）的烃基铬配体复合物）或m为2且每个RA独立地为烃基（公式（J）的二烃基铬配体复合物），其中每个RA的烃基或烃基亚烷基独立地未被取代或被1至5个RAS取代；每个RAS独立地为中性的无水脂肪族杂基、中性的无水杂环烷基、中性的无水杂芳基或中性的无水芳基；当Cr形式上是Cr+2时，m为1且RA为烃基（公式（J）的烃基铬配体复合物）；k为0或1的整数；当k为0时，D不存在，当k为1时，D为中性配体；其中公式（J）的铬配体复合物总体上是中性的，并且缺少环戊二烯基（Cp基）基团。还提供了由该复合物组成或制备的铬催化剂。还提供了制备该催化剂的方法以及使用铬催化剂聚合烯烃单体的方法，特别是直链1-烯烃，以制备聚烯烃，特别是部分链条直化的聚（1-烯烃）或烯烃嵌段共聚物。进一步提供了由此制备的部分链条直化的聚（1-烯烃）或烯烃嵌段共聚物。还提供了高通量工作流程。