furfuryl-2-(N,N-bis(diphenylphosphino)amine) | 1215198-71-2

• 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: furfuryl-2-(N,N-bis(diphenylphosphino)amine)
• 英文别名: N-furfuryl-bis(diphenylphosphanyl)amine；furfuryl-2-(N,N-bis-(diphenylphosphino))methylamine；furfuryl-N,N-bis(diphenylphosphino)amine；[(Ph2P)2NCH2-C4H3O]；N,N-bis(diphenylphosphanyl)-1-(furan-2-yl)methanamine
• CAS: 1215198-71-2
• 化学式: C₂₉H₂₅NOP₂
• 分子量: 465.471
• InChiKey: KTDPZCXBUQFITH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  16.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  chloro(1,5-cyclooctadiene)(pentamethylcyclopentadiene)ruthenium(II) 、 furfuryl-2-(N,N-bis(diphenylphosphino)amine) 以 四氢呋喃 为溶剂， 反应 1.0h， 以89%的产率得到[Ru((PPh₂)₂NCH₂-C₄H₃O)(Cp*)Cl]
  参考文献：
  名称：

  带有双（膦）胺配体的新型半三明治η5-Cp*-铑（III）和η5-Cp*-钌（II）配合物及其在芳族酮转移加氢中的应用

  摘要：

  两个新的半夹心η 5 -Cp * -铑（III）和η 5 -Cp * -钌（II）络合物已经从相应的双（膦）胺配体来制备，噻吩-2-（Ñ，Ñ双（二苯基膦基甲胺）或糠基-2-（N，N-双（二苯基膦基）胺）。通过多核一维和二维NMR光谱，元素分析和IR光谱阐明了新络合物的结构。这些带有双（膦）胺配体的Cp *-铑（III）和Cp *-钌（II）配合物已成功地用于转移2-丙醇对各种酮的氢化作用。版权所有©2013 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/aoc.3068
• 作为产物：
  描述：

  2-呋喃甲胺 、 二苯基氯化膦 在 三乙胺 作用下， 生成 furfuryl-2-(N,N-bis(diphenylphosphino)amine)
  参考文献：
  名称：

  铑催化的官能化双（膦）胺配体的转移加氢

  摘要：

  从配合物[Rh（cod）2 ] BF 4开始，已经制备了一系列具有P–N–P配体的新型阳离子单核铑（I）配合物。通过元素分析，IR和多核NMR光谱数据对复合物进行结构解析。此外，在2-丙醇作为氢源的存在下，将络合物用于酮的氢化转移。催化研究表明，所有配合物都是在0.1 M iso -PrOH溶液中芳基烷基酮转移加氢的出色催化前体。特别是，[Rh（（Ph 2 P）2 N-C 6 H 4 -4-CH（CH 3）2）（cod）] BF 4充当出色的催化剂，以高达99％的出色转化率提供相应的醇（TOF⩽1980 h -1）。

  DOI：

  10.1016/j.ica.2012.12.005

文献信息

• Syntheses, Structures, and Catalytic Ethylene Oligomerization Behaviors of Bis(phosphanyl)aminenickel(II) Complexes Containing <i>N</i> ‐Functionalized Pendant Groups
  作者：Keming Song、Haiyang Gao、Fengshou Liu、Jin Pan、Lihua Guo、Shaobo Zai、Qing Wu

  DOI：10.1002/ejic.200900256

  日期：2009.7

  N-functionalized bis(phosphanyl)amine ligands respectively containing benzyl, furfuryl, thiophene-2-methyl, thiophene-2-ethyl, and 2-picolyl groups (1a–e) were synthesized and characterized. The ligands reacted with (DME)NiBr2 in CH2Cl2 to give their corresponding nickel complexes [Ph2PN(R)PPh2NiBr2] [R = CH2C6H5 (2a), CH2C4H3O (2b), CH2C4H3S (2c), CH2C5H4N (2d), and CH2CH2C4H3S (2e)]. The structures of these

  合成并表征了分别含有苄基、糠基、噻吩-2-甲基、噻吩-2-乙基和2-甲基吡啶基团的几种N-官能化双（膦酰基）胺配体（1a-e）。配体与 CH2Cl2 中的 (DME)NiBr2 反应得到相应的镍配合物 [Ph2PN(R)PPh2NiBr2] [R = CH2C6H5 (2a)、CH2C4H3O (2b)、CH2C4H3S (2c)、CH2C5H4N (2d) 和 CH2CH2C4H )]。这些配合物的结构是通过单晶 X 射线晶体学确定的。所有这些镍配合物在甲基铝氧烷或 Et2AlCl 存在下对乙烯低聚反应具有高度活性，产生高含量的丁烯 (C4)。特别是对于含有噻吩-2-乙基侧基的 2e，在 –40 °C 下获得的低聚产物含有 95.9 mol-% 的 C4 馏分和 100 mol-% 的 1-丁烯。然而，超过 50°C，
• Synthesis, spectroscopic, CO‐releasing ability, and anticancer activity studies of [Mn(CO) ₃ (L–L)Br] complexes: Experimental and density functional theory studies
  作者：Jisha Mary Thomas、Pitchavel Vidhyapriya、Akhil K. Sivan、Natarajan Sakthivel、Chinnappan Sivasankar

  DOI：10.1002/aoc.6685

  日期：2022.6

  (1–5) and 4′-substituted 2,2′:6′,2″-terpyridine-based ligands (6–10) have been synthesized in order to study their CO-releasing ability and to investigate their anticancer activity. All the synthesized complexes (1–10) have been fully characterized using standard spectroscopic and analytical techniques. Further 5, 7, and 9 have also been characterized by single-crystal X-ray diffraction studies. Although

  已经合成了两种不同系列的锰 (I) 三羰基配合物，它们含有基于膦的 ( 1-5 )和 4'-取代的 2,2':6',2"-三联吡啶基配体 ( 6-10 ) ，以研究它们的 CO 释放能力并研究它们的抗癌活性。所有合成的配合物 ( 1-10 )都已使用标准光谱和分析技术进行了充分表征。进一步的5、7和9也已通过单晶 X 射线衍射研究进行了表征。虽然这两组配体都是π-受体，它们往往会在络合时改变 Mn-CO 键强度，从而影响 CO 释放。分别使用 365 nm 紫外线照射和低强度可见光实现了1 – 5和6 – 10的光活化。已使用密度泛函理论 (DFT) 和时间相关 DFT (TD-DFT) 计算检查了 MnCO 键强度。为了发现可见光活化复合物的治疗可行性，已经在黑暗和辐照下研究了它们的细胞毒性。MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium
• Ruthenium, rhodium and iridium complexes of the furfuryl-2-(N-diphenylphosphino)methylamine ligand: Molecular structure and catalytic activity
  作者：Cezmi Kayan、Nermin Meric、Murat Aydemir、Akın Baysal、Duygu Elma、Bünyamin Ak、Ertan Şahin、Nevin Gürbüz、İsmail Özdemir

  DOI：10.1016/j.poly.2012.05.009

  日期：2012.7

  The reaction of furfurylamine with two equivalents of PPh2Cl in the presence of Et3N affords furfuryl-2-(N,N-bis(diphenylphosphino)amine), (Ph2P)(2)NCH2-C4H3O (1). The corresponding ruthenium(II) complex trans-[Ru((PPh2)(2)NCH2-C4H3O)(2)Cl-2] (3) was synthesized by reacting 1 with [Ru(eta(6)-p-cymene)(mu-Cl)Cl](2). The reaction of furfurylamine with one equivalent of PPh2Cl gives Ph2PNHCH2-C4H3O (2). The reaction of 2 with [Ru(eta(6)-p-cymene)(mu-Cl)Cl](2), [Ru(eta(6)-benzene)(mu-Cl)Cl](2), [Rh(mu-Cl)(cod)](2) and [Ir(eta(5)-C5Me5)(mu-Cl)Cl](2) yields the complexes [Ru(Ph2PNHCH2-C4H3S)(eta(6)-p-cymene)Cl-2] (4), [Ru(Ph2PNHCH2-C4H3O)(eta(6-)benzene)Cl-2] (5), [Rh(Pb2PNHCH2-C4H3O)(cod)Cl] (6) and [Ir(Ph2PNHCH2-C4H3O)(eta(5)-C5Me5)Cl-2] (7), respectively. All the complexes were isolated from the reaction solution and fully characterized by analytical and spectroscopic methods. The structure of [Ru(Ph2PNHCH2-C4H3O)(eta(6)-p-cymene)Cl-2] (4) was also determined by single crystal X-ray diffraction. Complexes 3-7 are suitable precursors forming highly active catalysts in the transfer hydrogenation of a variety of simple ketones. Notably, the catalysts obtained by using the ruthenium complexes [Ru(Ph2PNHCH2-C4H3O)(eta(6)-p-cymene)Cl-2] (4) and [Ru(Ph2PNHCH2-C4H3O)(eta(6)-benzene)Cl-2] (5) are much more active in the transfer hydrogenation, converting the carbonyls to the corresponding alcohols in 97-99% yields (TOF <= 300 h(-1)), compared to analogous rhodium and iridium complexes and the trans-Ru(II)-p-cymene bis(phosphino)amine complex. (c) 2012 Elsevier Ltd. All rights reserved.
• Aminophosphine–palladium(II) complexes: Synthsesis, structure and applications in Suzuki and Heck cross-coupling reactions
  作者：Murat Aydemir、Akin Baysal、Ertan Sahin、Bahattin Gumgum、Saim Ozkar

  DOI：10.1016/j.ica.2011.07.056

  日期：2011.11

  Reaction of furfurylamine with 1 or 2 equivalents of PPh2Cl in the presence of Et3N, proceeds under anaerobic conditions in thf to give furfuryl-2-(N-diphenylphosphino)amine, Ph2PNHCH2-C4H3O, 1 and furfuryl-2-(N,N-bis(diphenylphosphino)amine), (Ph2P)(2)NCH2-C4H3O, 2, respectively. The reactions of 1 and 2 with MCl2(cod) (M = Pd, Pt; cod = 1,5-cyclooctadiene) or Pt(CH3)(2)(cod) yield complexes [M(Ph2PNHCH2-C4H3O)(2)Cl-2] (M= Pd 1a, Pt 1b), [Pt(Ph2PNHCH2-C4H3O)(2)(CH3)(2)] (1c), and [M((Ph2P)(2) NCH2-C4H3O)Cl-2] (M= Pd 2a, Pt 2b), [Pt((Ph2P)(2)NCH2-C4H3O)(CH3)(2)] (2c), respectively. All the compounds were isolated as analytically pure substances and characterized by NMR, IR spectroscopy and elemental analysis. Representative solid-state structures of 2a and 2b were also determined by X-ray single crystal diffraction technique. Furthermore, the palladium complexes 1a and 2a were tested and found to be highly active catalysts in the Suzuki coupling and Heck reaction affording biphenyls and trans-stilbenes, respectively. (C) 2011 Elsevier B.V. All rights reserved.
• LIGAND COMPOUND, CATALYST SYSTEM FOR OLEFIN OLIGOMERIZATION, AND OLEFIN OLIGOMERIZATION METHOD USING THE SAME
  申请人：LG CHEM, LTD.

  公开号：US20160271600A1

  公开（公告）日：2016-09-22

  The present invention relates to a ligand compound, a catalyst system for olefin oligomerization, and a method for olefin oligomerization using the same. The present ligand compound is a compound having a certain new structure and enables provision of a catalyst system for olefin oligomerization that can oligomerize ethylene with higher catalytic activity.