Nd(BH₄)₃(THF)₃ | 1149348-20-8

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Nd(BH₄)₃(THF)₃
• 英文别名: boranuide;neodymium(3+);oxolane
• CAS: 1149348-20-8
• 化学式: C₁₂H₃₆B₃NdO₃
• 分子量: 405.089
• InChiKey: JSKIBSFNMHDYHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.96
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-methyl-1-(3-propan-2-yl-2H-imidazol-3-ium-2-id-1-yl)propan-2-ol 、 Nd(BH₄)₃(THF)₃ 以 氘代苯 为溶剂， 生成
  参考文献：
  名称：

  调整稀土硼氢化物对异戊二烯聚合的催化性能†

  摘要：

  先前的顺式聚合反应结果异戊二烯用scan半三明治复合物Cp * Sc（BH 4）2（THF）1a扩展到其钕类似物。呈现了已报道的钕单体化合物Cp * Nd（BH 4）2（THF）2 1b的X射线结构。发现Cp * Nd（BH 4）2（THF）2 / [CPh 3 ] [B（C 6 F 5）4 ] / Al（i Bu）3催化体系对异戊二烯聚合反应非常活泼且具有立体选择性，从而导致高度1,4-顺式聚异戊二烯高达92％。上增加了一个NHC分子与Cp * LN（BH的异戊二烯聚合的效果4）2（THF）ñ预催化剂（CP * =η 5 -C 5我5，LN =钪，Ñ = 1，1A ;的Nd，ñ = 2，1B ; SM，ñ = 2，1C）或一个trisborohydride LN（BH 4）3（THF）ñ（LN =钪，ñ = 1.5，图2a ;钕，ñ = 3，2B ;钐，n = 3，2c）也进行了研究。评估了几种NHC配体：经典的[1-C

  DOI：

  10.1039/c2dt31624b

文献信息

• Lanthanide bis(borohydride) complexes coordinated by tetradentate phenoxide ligand: Synthesis, structure, and catalytic activity in ring-opening polymerization of rac-lactide and ε-caprolactone
  作者：Natalia Rad'kova、Vasily Rad'kov、Anton Cherkasov、Tatyana Kovylina、Alexander Trifonov

  DOI：10.1016/j.ica.2019.02.014

  日期：2019.4

  the Y3+ ion in a κ3-fashion. Compounds 1–3 initiate ring-opening polymerization (ROP) of ɛ-caprolactone (ɛ-CL) and racemic lactide (rac-LA) in toluene at 25 °C. The obtained polylactides are characterized by atactic structures Pr = 0.54–0.58, and rather narrow polydispersities (Mw/Mn = 1.1–1.5). For ɛ-caprolactone polymerization, the resulting polymers have moderate polydispersities (Mw/Mn = 1.4–2.4)

  摘要由单阴离子四齿酚盐配体[[C5H4NCH2）2NCH2（3,5-tBu2C6H2O）] Ln（BH4）2 [Ln = Y（1），Nd（2），Sm（3）]配位的新型镧系元素双（硼氢化物）配合物通过Ln（ ）3（THF）3与等摩尔量的苯酚锂[（C5H4NCH2）2NCH2（3,5-tBu2C6H2O）Li]在THF中于60°C的反应合成。从甲苯重结晶后，分别以75％，64％和69％的收率分离出复合物。X射线分析表明，苯酚的配体在1中是四齿的，而两个硼氢化物基团则以κ3的方式与Y3 +离子配位。化合物1-3在25°C的甲苯中引发ε-己内酯（ɛ-CL）和消旋丙交酯（rac-LA）的开环聚合（ROP）。所获得的聚丙交酯的特征在于无规结构Pr = 0.54-0.58，并且具有较窄的多分散性（Mw / Mn = 1.1-1.5）。
• Cationic rare-earth metal bis(tetrahydridoborato) complexes: direct synthesis, structure and ring-opening polymerisation activity toward cyclic esters
  作者：Dominique Robert、Małgorzata Kondracka、Jun Okuda

  DOI：10.1039/b801030g

  日期：——

  Rare-earth metal tris(borohydrides) [Ln(BH4)3(thf)3] (Ln = Y, La, Nd, Sm) are converted with one equivalent of the Brønsted acid [NEt3H]+[BPh4]− in thf into the monocationic bis(borohydride) complexes [Ln(BH4)2(thf)5]+[BPh4]−. They efficiently initiate the ring-opening polymerisation of ε-caprolactone.

  稀土金属三（硼氢化物）[Ln(BH4)3(thf)3]（Ln = Y、La、Nd、Sm）与thf中的一种等效布氏酸[NEt3H]+[BPh4]-一起转化为单位双（硼氢化物）配合物[Ln( )2(thf)5]+[BPh4]-。它们能有效地引发ε-己内酯的开环聚合反应。
• Mixed Allyl–Borohydride Lanthanide Complexes: Synthesis of Ln(BH₄)₂(C₃H₅)(THF)₃ (Ln = Nd, Sm), Characterization, and Reactivity toward Polymerization
  作者：Sami Fadlallah、Michaël Terrier、Chloe Jones、Pascal Roussel、Fanny Bonnet、Marc Visseaux

  DOI：10.1021/acs.organomet.5b00877

  日期：2016.2.22

  New mixed allyl-borohydrido lanthanide complexes Ln(BH4)(2)(C3H5)(THF)(3) (Ln = Nd (1), Sm (2)) could be prepared in good yield by reacting Ln(BH4)(3)(THF)(3) (Ln = Sm, Nd) with 1/2 equiv of Mg(C3H5)(2)(THF)(x). X-ray structure analysis revealed monomeric structures with two terminal BH4 ligands, one pi-ally) ligand, and three THF molecules. In an assessment of isoprene polymerization, 1 afforded trans-1,4-polyisoprene in good yield, as a single component or in combination with Mg cocatalyst. Both 1 and 2 were found to be extremely active toward e-caprolactone polymerization.
• The first example of a dinuclear anionic lanthanoidocene complex: [K(18-crown-6){(C13H8)CPh2(C5H4)Nd(BH4)2}]2·C4H8O2
  作者：Changtao Qian、Wanli Nie、Jie Sun

  DOI：10.1016/s0022-328x(01)00690-8

  日期：2001.4

  The first dinuclear anionic lanthanocene compound is described. By reaction of [Nd(BH4)(3)(THF)(3)] with K-2[FluCPh(2)Cp] in THF solution in the presence of 18-crown-6 ether we got an anionic complex [K(18-crown-6)(C13H8)CPh2(C5H4)Nd(BH4)(2)}](2 .)C4H8O2. The crystal structure of this complex was determined and indicated that this anionic compound crystallized in a binuclear fashion. It consists of three parts: the two discrete anions of (C13H8)CPh2(C5H4)Nd(BH4)(2)}(-) moiety is connected by the cation of [K(18-crown-6)(2)(+).C4H8O2 through a weak eta (2) interaction of the Flu moieties with the K+ cations. (C) 2001 Elsevier Science B.V. All rights reserved.