(Ph2PCH2)2N(t-Bu) | 153111-32-1

• 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: (Ph2PCH2)2N(t-Bu)
• 英文别名: N,N-bis(diphenylphosphanylmethyl)-2-methylpropan-2-amine
• CAS: 153111-32-1
• 化学式: C₃₀H₃₃NP₂
• 分子量: 469.546
• InChiKey: XVVXNBWXDASGDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (Ph2PCH2)2N(t-Bu) 以 四氢呋喃 、 乙醚 为溶剂， 反应 32.0h， 生成
  参考文献：
  名称：

  Unrealized concepts of masked alkylidenes in (PNP)FeXY systems and alternative approaches to LnXmFe(IV)=CHR

  摘要：

  Treatment of PNP ligands with iron(II) halides yielded pseudo tetrahedral {(Ph2PCH2)(2)NR}FeX2 (R '' = Bu-t, 1a-X; Me, 1b-X) and {((Bu2PCH2)-Bu-i)(2)NR ''}FeX2 (R '' = Bu-t, 2a-X; Me, 2b-X) complexes, which could be mono- and dialkylated to afford various {(Ph2PCH2)(2)NR ''}FeCl(R) (R '' = Bu-t, 3a-R; Me, 3b-R), {((Bu2PCH2)-Bu-i)(2)NR ''}FeCl (R) (R '' = Bu-t, 4a-R; Me, 4b-R), {(Ph2PCH2)(2)(NBu)-Bu-t}Fe((neo)Pe)(2) (5a-(neo)Pe) and {((Bu2PCH2)-Bu-i)(2)(NBu)-Bu-t}Fe(1-nor)(2) (6a-nor). All of the complexes were high spin (S = 2), and structural studies of {(Ph2PCH2)(2)NMe}FeCl2 (1b-Cl), {((Bu2PCH2)-Bu-i)(2)(NBu)-Bu-t}FeCl2 (2a-Cl), and {((Bu2PCH2)-Bu-i)(2)(NBu)-Bu-t}FeCl(1-nor) (4a-nor), revealed chair conformations for the PNP ligands, which were calculated to have modest barriers to boat configurations via twist-boats as calculational minima. Attempts to convert these complexes to zwitterionic NCRR'Fe-containing species as "masked alkylidenes" failed to materialize. Alternative approaches involving structurally characterized diamagnetic {((Bu2PCH2)-Bu-i)(2)(NBu)-Bu-t}(CO)(2)FeCl(CO(neo)Pe) (8), the carbonylation product of 4a-neoPe, and low-valent {(Ph2PCH2CH2)(2)(NBu)-Bu-t}Fe((H2C=CHSiMe2)(2)O) (9) also failed. An analysis of orbital energies and overlap is given for alkylidenes. Covalence is identified as a crucial feature necessary for the alkylidene to metalacyclobutane transformation in metathesis. (C) 2020 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2020.114460
• 作为产物：
  描述：

  二苯基膦 以 甲醇 为溶剂， 反应 21.0h， 生成 (Ph2PCH2)2N(t-Bu)
  参考文献：
  名称：

  新型双(二膦)铼(V)二氧配合物的合成及抗菌活性

  摘要：

  铼基金属药物最近被强调为对抗多重耐药 (MDR) 病原体的新抗生素的有希望的候选者。一种新的铼 ( V ) 二氧配合物由易于获得的二膦配体制备而成，已被证明对金黄色葡萄球菌( S. aureus ) 和白色念珠菌( C. albicans ) 具有强效活性，同时对人体细胞毒性低。

  DOI：

  10.1039/d2dt02157a

文献信息

• Highly active cobalt complex catalysts used for alkene hydrosilylation
  作者：Yu Liu、Jiayun Li、Ying Bai、Jiajian Peng

  DOI：10.1002/aoc.6315

  日期：2021.9

  investigated. FeCl2/1(N1, N1, N2, N2-Tetrakis[(diphenylphosphino)methyl]ethane-1,2-diamine) showed low catalytic activity. MnCl2/1, CrCl3/1 and NiCl2/1 showed some catalytic activity. The CoCl2/N,P-ligand catalyst system showed high activity as well as excellent selectivity (The selectivity of the β-adduct was ~100%.) in the hydrosilylation reaction. CoCl2/1 showed the highest catalytic activity (~ >99.9% conversion

  合成了一系列氮膦配体，并研究了在这些配体存在下使用MCl 2催化烯烃的氢化硅烷化反应。FeCl 2 / 1 ( N 1 , N 1 , N 2 , N 2 -Tetrakis[(二苯基膦基)甲基]乙烷-1,2-二胺)显示出低催化活性。MnCl 2 / 1、 CrCl 3 / 1和NiCl 2 / 1表现出一定的催化活性。CoCl 2 / N , P-配体催化剂体系在氢化硅烷化反应中表现出高活性和优异的选择性（β-加合物的选择性为~100％。）。CoCl 2 / 1显示出最高的催化活性（~>99.9% 的 1-辛烯转化率）。此外，未检测到 α-加合物、脱氢硅烷化产物和辛烷。
• Synthesis and characterization of bis(diphenylphosphinomethyl)amino ligands and their Ni(II), Pd(II) complexes: Application to hydrogenation of styrene
  作者：Mustafa Keleş、Orhan Altan、Osman Serindaǧ

  DOI：10.1002/hc.20384

  日期：——

  Transition metal complexes of Ni(II) and Pd(II) with ditertiary bis(diphenylphosphinomethyl)amino ligands, (Ph2PCH2)2NC(CH3)3 (1) and [(Ph2PCH2)Nm-PhSO3]Na (2) (Ph = phenyl), have been synthesized in good yields under nitrogen atmosphere by Schlenk technique. All complexes have been characterized using elemental analyses and spectroscopic techniques such as atomic absorption, FT-IR, and NMR (1H, 31P)

  Ni(II) 和 Pd(II) 与二叔双 (二苯基膦甲基) 氨基配体 (Ph2PCH2)2NC(CH3)3 (1) 和 [(Ph2PCH2)Nm-PhSO3]Na (2) (Ph = 苯基) 的过渡金属配合物)，已通过 Schlenk 技术在氮气氛下以良好的收率合成。所有配合物均已使用元素分析和光谱技术（例如原子吸收、FT-IR 和 NMR（1H，31P））进行表征。原子吸收光谱分析表明配体1和2与NiCl2·6H2O和[PdCl2(COD)]的反应以1:1的摩尔比发生。发现金属配合物 [NiCl2(Ph2PCH2)2Nm-PhSO3Na] (4) 和 [PdCl2(Ph2PCH2)2Nm-PhSO3Na] (6) 可溶于乙醇和水溶液，也微溶于水。通过循环伏安法研究了配合物的电化学行为。在苯乙烯氢化成乙苯的整个过程中测试了 Pd(II) 配合物的催化作用。© 2008 Wiley Periodicals
• PCNCP Ligands in the Chromium-Catalyzed Oligomerization of Ethylene: Tri- versus Tetramerization
  作者：Christian Klemps、Elina Payet、Lionel Magna、Lucien Saussine、Xavier F. Le Goff、Pascal Le Floch

  DOI：10.1002/chem.200900986

  日期：2009.8.17

  Chromium(III) complexes bearing R′N(CH2PR2)2 (PCNCP) ligands have been prepared. Upon activation with methylaluminoxane, these complexes proved to be effective in the selective tri‐ and tetramerization of ethylene. The formation of either 1‐hexene or 1‐octene was found to be highly dependent on the steric bulk of the substituents R on the phosphine moieties. This observation was rationalized by using

  已经制备了带有R'N（CH 2 PR 2）2（PCNCP）配体的铬（III）配合物。经甲基铝氧烷活化后，这些络合物被证明对乙烯的选择性三聚和四聚有效。发现1-己烯或1-辛烯的形成高度依赖于膦部分上取代基R的空间体积。通过在乙烯低聚反应的金属环机理的选定步骤上使用密度泛函理论计算来合理化该观察结果。
• Synthesis and reactivity of aminomethyldiphenylphosphine complexes of molybdenum. Crystal structure of cis-[Mo(CO)4(Ph2PCH2NHC6H4Me-p)2]
  作者：David L. Davies、F.Ignatius Healey、Joshua Howarth、David R. Russell、Lesley J.S. Sherry

  DOI：10.1016/0022-328x(89)85153-8

  日期：1989.11

  The phosphines Ph2PCH2NHR (R = But, C6H4Me-4) react with [Mo(CO)4(norbornadiene)] or [Mo(CO)4(piperidine)2] to form cis-[Mo(CO)4(Ph2PCH2NHR)2]. The crystal structure has been determined for R = C6H4Me-4. Reaction of these complexes with aqueous formaldehyde gives the complexes [Mo(CO)4}(Ph2PCH2)2-NR}] which were also prepared independently from (Ph2PCH2)2NR.

  膦Ph 2 PCH 2 NHR（R = Bu t，C 6 H 4 Me-4）与[Mo（CO）4（降冰片二烯）]或[Mo（CO）4（哌啶）2 ]反应形成顺式-[ Mo（CO）4（Ph 2 PCH 2 NHR）2 ]。对于R ＝ C 6 H 4 Me-4，已经确定了晶体结构。这些配合物与甲醛水溶液反应生成配合物[Mo（CO）4 }（Ph 2 PCH 2）2 -NR}]，它们也独立于（Ph2 PCH 2）2 NR。
• Diiron and trinuclear NiFe2 dithiolate complexes chelating by PCNCP ligands: Synthetic models of [FeFe]- and [NiFe]-hydrogenases
  作者：Pei-Hua Zhao、Jian-Rong Li、Xiao-Li Gu、Xing-Bin Jing、Xu-Feng Liu

  DOI：10.1016/j.jinorgbio.2020.111126

  日期：2020.9

  To further develop the biomimetic chemistry of [FeFe]- and [NiFe]-hydrogenases for catalytic proton reduction to hydrogen (H2), two serials of dinuclear diiron and trinuclear NiFe2 dithiolate complexes with chelating PCNCP ligands, namely, Fe2(μ-edt)(CO)4κ2-(Ph2PCH2)2NR} (1a–1c) and Fe2(CO)6(μ3-S)2Ni(Ph2PCH2)2NR} (2a–2c) where edt = SCH2CH2S and PCNCP = (Ph2PCH2)2NR [R = Bui (CH2CHMe2), But (CMe3)

  为了进一步开发[FeFe]-和[NiFe]-加氢酶的仿生化学，以将质子催化还原为氢（H 2），使用了两个系列的具有螯合PCNCP配体的二核二铁和三核NiFe 2二硫代配合物，即Fe 2（μ -edt）（CO）4 κ 2 - （PH 2 PCH 2）2 NR}（1A - 1C）和Fe 2（CO）6（μ 3 -S）2的Ni （PH 2 PCH 2）2 NR} （2a – 2c）其中edt = SCH2 CH 2 S和PCNCP =（PH 2 PCH 2）2 NR [R =卜我（CH 2 CHME 2），卜吨（CME 3）和Bu Ñ（CH 2 CH 2 CH 2 Me）中]，得到了以中等产量合成。所有新的配合物1a - 1c和2a - 2c均已通过元素分析，FT-IR，NMR光谱和单晶X射线衍射分析得到了充分表征。更重要的是，探索过渡金属芯的影响（i。ê，镍和氢化酶激发分子催化剂的用于h的电