((CH3)2CH)3PPd(η(2),η(2)-C7H12) | 210691-12-6

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: ((CH3)2CH)3PPd(η(2),η(2)-C7H12)
• 英文别名: Hepta-1,6-diene;palladium;tri(propan-2-yl)phosphane
• CAS: 210691-12-6
• 化学式: C₁₆H₃₃PPd
• 分子量: 362.832
• InChiKey: NMYQECCJVGXOAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.22
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  ((CH3)2CH)3PPd(η(2),η(2)-C7H12) 以 乙醚 为溶剂， 生成 [Pd((η(2)-CH2CHSiMe2)2O)P(CH(CH3)2)3]
  参考文献：
  名称：

  Hepta-1,6-diene and diallyl ether complexes of palladium(0) and platinum(0):a route to L–M(alkene)2 complexes containing non-activated alkenes

  摘要：

  与 hepta-1,6-二烯和双烯醚反应，Pd⁰ 和 Pt⁰ 形成高度反应性的同配体二核 M₂(1,6-二烯)₃ 复合物，这些复合物被供体 L（例如 C₂H₄、膦类、磷酸酯、异氰基化合物）裂解，生成单核衍生物 L–M(1,6-二烯)；（Me₃P）Pd{(η²-CH₂CHCH₂)₂O} 的 X 射线结构已被确定。

  DOI：

  10.1039/a802381f
• 作为产物：
  描述：

  烯丙基醚 以 氘代四氢呋喃 为溶剂， 生成 ((CH3)2CH)3PPd(η(2),η(2)-C7H12)
  参考文献：
  名称：

  钯 (0) 和铂 (0) 的 1,6-二烯配合物：裸金属和 [L-M0] 碎片的高反应性来源

  摘要：

  配合物 (cod)MCl2 (M = Pd, Pt; cod = cis,cis-1,5-cyclooctadiene) 与 Li2(cot) (cot = cyclooctatetraene) 在 1,6-二烯/乙醚混合物 (1, 6-二烯 = 庚-1,6-二烯、二烯丙基醚、dvds (1,3-二乙烯基-1,1,3,3-四甲基二硅氧烷)) 得到分离的均质双核 Pd0 和 Pt0 化合物 Pd2(C7H12)3 ( 1)、Pd2(C6H10O)3·C6H10O(2'；2：Pd2(C6H10O)3)、Pd2(dvds)3(3)和Pt2(C7H12)3(4)。当 1-4 用额外的 1,6-二烯处理时，M(1,6-二烯)2 (5-8) 型的同样均质但单核的衍生物和乙烯混合烯烃配合物 (C2H4)M(1,6 -二烯) (9-12) 在溶液中获得。配合物 1-12 与供体配体如膦、亚磷酸盐或 tBuNC

  DOI：

  10.1021/ja983939h

文献信息

• A Dinuclear Palladium(I) Ethynyl Complex:  Synthesis, Structure, and Dynamics
  作者：Jochen Krause、Richard Goddard、Richard Mynott、Klaus-Richard Pörschke

  DOI：10.1021/om000765f

  日期：2001.5.1

  The reaction of Pd(eta (3)-C3H5)(2) with (PPr3)-Pr-i at -30 degreesC affords yellow crystals of the Pd-II complex ((Pr3P)-Pr-i)Pd(eta (3)-C3H5)(eta (3)-C3H5) (1). At 20 degreesC 1 transforms into the dinuclear Pd-I complex ((Pr3P)-Pr-i)Pd)(2)(mu -C3H5)(2) (2) due to oxidative C-C coupling of two allyl groups with elimination of 1,5-hexadiene. Heating 1 or 2 in 1,6-heptadiene to 80 degreesC produces the Pd-0 complex ((Pr3P)-Pr-i)Pd(eta (2),eta (2)-C7H12) (3) (eta (3)-C3H5)PdCl}(2) reacts with (Pr3P)-Pr-i to give ((Pr3P)-Pr-i)Pd(eta (3)-C3H5)Cl (4b), from which further derivatives ((Pr3P)-Pr-i)Pd(eta (3)-C3H5)X (X = OSO2CF3 (4a), C drop CH (5a), CH3 (5b)) are obtained by replacement reactions. The mononuclear Pd-II-acetylide Sa and complex 3 combine to give the dinuclear Pd-I derivative ((Pr3P)-Pr-i)Pd}(2)(mu -C3H5)(mu (2)-eta (2)-C2H) (6). The Pd-Pd bond in 6 is unsymmetrically bridged by a pi -allyl and a sigma-pi -ethynyl group, as determined by X-ray structure analysis. The structures of 1, 4a,b, and 6 are dynamic in solution, with 1 undergoing an exchange of the binding modes of the pi- and sigma -coordinated allyl groups and 4a,b displaying a pi/sigma -allyl group rearrangement, and in 6 the C drop CH substituent oscillates in its pi -coordination from one Pd-I atom to the other.
• 1,6-Diene Complexes of Palladium(0) and Platinum(0):  Highly Reactive Sources for the Naked Metals and [L−M⁰] Fragments
  作者：Jochen Krause、Günter Cestaric、Karl-Josef Haack、Klaus Seevogel、Werner Storm、Klaus-Richard Pörschke

  DOI：10.1021/ja983939h

  日期：1999.10.1

  1−12 react with donor ligands such as phosphanes, phosphites, or tBuNC to give isolated complexes of types L−M(1,6-diene) (13−41), which have also been prepared by other routes. In all complexes the metal centers are TP-3 coordinated: complexes 1−4 contain chelating and bridging 1,6-diene ligands, whereas the other complexes contain a chelating 1,6-diene ligand and an η2-a...

  配合物 (cod)MCl2 (M = Pd, Pt; cod = cis,cis-1,5-cyclooctadiene) 与 Li2(cot) (cot = cyclooctatetraene) 在 1,6-二烯/乙醚混合物 (1, 6-二烯 = 庚-1,6-二烯、二烯丙基醚、dvds (1,3-二乙烯基-1,1,3,3-四甲基二硅氧烷)) 得到分离的均质双核 Pd0 和 Pt0 化合物 Pd2(C7H12)3 ( 1)、Pd2(C6H10O)3·C6H10O(2'；2：Pd2(C6H10O)3)、Pd2(dvds)3(3)和Pt2(C7H12)3(4)。当 1-4 用额外的 1,6-二烯处理时，M(1,6-二烯)2 (5-8) 型的同样均质但单核的衍生物和乙烯混合烯烃配合物 (C2H4)M(1,6 -二烯) (9-12) 在溶液中获得。配合物 1-12 与供体配体如膦、亚磷酸盐或 tBuNC
• Hepta-1,6-diene and diallyl ether complexes of palladium(0) and platinum(0):a route to L–M(alkene)2 complexes containing non-activated alkenes
  作者：Jochen Krause、Karl-Josef Haack、Klaus-Richard Pörschke

  DOI：10.1039/a802381f

  日期：——

  With hepta-1,6-diene and diallyl ether, Pd0 and Pt0 form highly reactive homoleptic dinuclear M2(1,6-diene)3 complexes, which are cleaved by donors L (e.g. C2H4, phos-phanes, phosphites, isonitriles) to afford mononuclear derivatives L–M(1,6-diene); the X-ray structure of (Me3P)Pd(η2-CH2CHCH2)2O} has been determined.

  与 hepta-1,6-二烯和双烯醚反应，Pd⁰ 和 Pt⁰ 形成高度反应性的同配体二核 M₂(1,6-二烯)₃ 复合物，这些复合物被供体 L（例如 C₂H₄、膦类、磷酸酯、异氰基化合物）裂解，生成单核衍生物 L–M(1,6-二烯)；（Me₃P）Pd(η²-CH₂CHCH₂)₂O} 的 X 射线结构已被确定。