sodium cyclopentadienide

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: sodium cyclopentadienide
• 英文别名: cyclopentadienyl sodium；sodium cyclopentadienylide；sodium cyclopentadienyl；CpNa；NaCp；Cyclopentadienylnatrium；sodium cyclopentadiene；sodium;cyclopenta-1,3-diene
• 化学式: C₅H₅*Na
• 分子量: 88.0845
• InChiKey: OHUVHDUNQKJDKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.59
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

毒理性

• 副作用

Dermatotoxin - 皮肤烧伤。

Dermatotoxin - Skin burns.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

反应信息

• 作为反应物：
  描述：

  sodium cyclopentadienide 在 甲基溴化吡啶 、 联苯胺 作用下， 生成 奥苷菊环
  参考文献：
  名称：

  DE1003728

  摘要：

  公开号：
• 作为产物：
  描述：

  环戊二烯 在 sodium 作用下， 以 四氢呋喃 为溶剂， 生成 sodium cyclopentadienide
  参考文献：
  名称：

  第4组金属的三（环戊二烯基）配合物的结构多样性：Zr和Hf的Cp和MeCp配合物的合成以及（MeCp）3 HfCl和（MeCp）4 Zr的晶体学表征（MeCp = C 5 H 4 CH 3）

  摘要：

  先前的理论研究已经预测了三（环戊二烯基）锆和ha配合物Cp 3 MX（Cp = C 5 H 5 ; M = Zr，Hf）之间的结构差异。可以通过Cp 2 ZrCl 2和NaCp的化学计量反应分离Cp 3 ZrCl ，但是形成类似的Hf络合物会因配体的重新分布而变得复杂。这两种复合物的局部晶体学分析表明可能的结构差异，其中所述的Zr配合物具有三个η 5的Cp配体（“ 3 - 5 ”的结构），而HF络合物具有两个η 5的Cp配体和一个η 1的Cp配体（“2 - 5，1 - 1 ”结构）。C 5 H 4 CH 3（MeCp）的使用简化了适当晶体的合成和获取。一个数Zr和Hf的MECP配合物的制备与（MECP）的晶体学表征沿着报道3的HfCl，其具有2 - 5，1 - 1结构和（MECP）4的Zr，其具有3 - 5，1 - 1结构。

  DOI：

  10.1016/j.poly.2013.03.007
• 作为试剂：
  描述：

  四氢呋喃 、 ytterbium(III) chloride 、 、 4-甲苯硫酚 在 sodium cyclopentadienide 作用下， 反应 24.5h， 以73%的产率得到
  参考文献：
  名称：

  Synthesis and structures of amine bis(phenolate) lanthanide thiolates and their application in the polymerization of ε-caprolactone

  摘要：

  Reaction of anhydrous LnCl(3) with 1 equivalent of LNa2 (L-2 = [Me2NCH2CH2CH2N{CH2-(3,5-Bu-t(2)-C6H2-2O)}(2)](2) ) and 1 equivalent of CpNa (Cp = C5H5 ) in THF firstly, then with 1 equivalent of p-thiocresol, leads to the lanthanide thiolates of LLn(SC6H4-p-Me)(THF) (Ln = Sm (1), Er (2), Yb (3)). They were characterized by infrared spectra, elemental analyses and X-ray crystallography. Complexes 1-3 are monomers. The L2 dianion ligand coordinates with the lanthanide ion in an O,N,N,O-tetradentate mode. All the complexes can catalyze the ring-opening polymerization of epsilon-caprolactone, and the activity decreases in the order of 1(Sm) > 2(Er) > 3(Yb). The polymer's polydispersity index (PDI) by complexes 1-3 is in the range of 1.3-1.5, less than that by [(MeCp)(2)Sm(SC6H5)(THF)](2). The initiation mechanism for the polymerization was discussed. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.08.019

文献信息

• SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES
  申请人：Wang Zhong

  公开号：US20120077814A1

  公开（公告）日：2012-03-29

  The disclosure provides biologically active compounds of formula (I): and pharmaceutically acceptable salts thereof, compositions containing these compounds, and methods of using these compounds in a variety applications, such as treatment of diseases or disorders associated with E1 type activating enzymes, and with Nedd8 activating enzyme (NAE) in particular.

  该披露提供了化学式(I)的生物活性化合物及其药用盐，含有这些化合物的组合物，以及在各种应用中使用这些化合物的方法，例如用于治疗与E1型激活酶相关的疾病或紊乱，特别是与Nedd8激活酶(NAE)相关的疾病或紊乱。
• Asymmetric Synthesis of Polyhydroxylated <i>N</i>-Alkoxypiperidines by Ring-Closing Double Reductive Amination: Facile Preparation of Isofagomine and Analogues
  作者：Gaëlle Malik、Xavier Guinchard、David Crich

  DOI：10.1021/ol203213f

  日期：2012.1.20

  A de novo synthesis of novel polyhydroxylated N-alkoxypiperidines based on the ring-closing double reductive amination of 1,5-dialdehydes, obtained by oxidative cleavage of cyclopentene derivatives, with O-substituted hydroxylamines is reported. Isofagomine was accessed by cleavage of the N–O bond of an N-alkoxypiperidine.

  报道了一种新的多羟基化的N-烷氧基哌啶的从头合成，该合成是基于通过用O-取代的羟胺对环戊烯衍生物进行氧化裂解而得到的1，5-二醛的双环还原胺化。通过切割N-烷氧基哌啶的N-O键可访问异黄花碱。
• 一类恩替卡韦的中间体的制备方法，以及中间 体
  申请人：浙江星月药物科技股份有限公司

  公开号：CN104017016B

  公开（公告）日：2017-04-05

  本发明公开了一类恩替卡韦的中间体的制备方法，以及中间体。如式IV或IV’所示的恩替卡韦的中间体的制备方法包含下列步骤：溶剂中，在质子酸的作用下，将化合物V进行如下所示的脱去氨基保护基和羟基保护基的反应，即可。本发明的制备方法原料廉价易得，反应条件温和、副反应少、收率高、对环境污染小，中间体易于纯化分离，适于工业化生产。
• Mono- and di-cyclopentadienyl zirconium derivatives containing the dimethylsilylcyclopentadienyl ligand. Agostic linear Si–H–Zr interaction in the molecular structure of [Zr{η5-C5H4(SiMe2H)}Cl3]2 †
  作者：Gemma Ciruelo、Tomás Cuenca、Rafael Gómez、Pilar Gómez-Sal‡、Avelino Martín ‡

  DOI：10.1039/b010221k

  日期：——

  Dimethylsilyl substituted mono- and di-cyclopentadienyl zirconium chlorides have been prepared and their reactions with amido and alkyl reagents studied. The silylcyclopentadienes C5H5(SiMe2H) 1, C5H4(SiMe2H)22 and C5H4(SiMe3)(SiMe2H) 3 can be prepared by reaction of Na(C5H5) with the appropriate chlorosilane reagent. The lithium salt Li[C5H4(SiMe2H)] reacts with ZrCl4 or [Zr(C5H5)Cl3] to give the metallocene complexes [Zr(C5H4R)C5H4(SiMe2H)}Cl2] (R = SiMe2H 4 or H 5) whereas the reaction of the disilylcyclopentadiene C5H4(SiMe2H)2 with ZrCl4 afforded the monocyclopentadienyl complex [ZrC5H4(SiMe2H)}Cl3] 6, which exchanges the Si–H and Zr–Cl bonds. The reaction of 6 with lithium amides produces different products depending on the basicity of the nitrogen atom and the steric demands of its amido substituents. The reaction with LiN(SiMe3)2 and LiNH(2,6-Me2C6H3) afforded the corresponding amido zirconium complexes [ZrC5H4(SiMe2H)}(NRR′)Cl2] (R = R′ = SiMe37; R = H, R′ = 2,6-Me2C6H38), but in the case of the reaction with LiNHtBu the known cyclopentadienylsilylamido derivative [Zr(η5,η1-C5H4SiMe2NtBu)Cl2] was formed. The monoamido, diamido and dialkyl dicyclopentadienyl complexes [Zr(C5H4R)C5H4(SiMe2H)}X(Y)] (R = SiMe2H 9 or H 10, X = Cl, Y = NHtBu; R = SiMe2H 11 or H 12, X = Y = NHtBu; R = SiMe2H 13 or H 14, X = Y = Me) have been synthesized by reaction of 4 and 5 with the appropriate amido or methyl reagent. Compound 9 reacts with a stoichiometric amount of water with selective hydrolysis of the Zr–amido bond to give the corresponding μ-oxo dinuclear complex [Zr[C5H4(SiMe2H)]2Cl}2(μ-O)] 15. The molecular structure of [ZrC5H4(SiMe2H)}Cl3] 6 was established by X-ray crystallography. Compound 6 is a dimer, in the solid state, in which dimerization occurs through Zr–H–Si agostic interactions and two chloride bridges.

  已经制备了二甲基硅烷取代的单环戊二烯基和二环戊二烯基锆氯化物，并研究了它们与氨基和烷基试剂的反应。通过Na(C5H5)与适当的氯硅烷试剂反应，可以制备硅基环戊二烯 (SiMe2H) 1、C5H4(SiMe2H)22和 (SiMe3)(SiMe2H) 3。锂盐Li[ (SiMe2H)]与ZrCl4或[Zr( )Cl3]反应，得到金属茂配合物[Zr( R) (SiMe2H)}Cl2]（R = SiMe2H 4或H 5），而二硅基环戊二烯 (SiMe2H)2与ZrCl4反应得到单环戊二烯基配合物[Zr (SiMe2H)}Cl3] 6，该配合物交换了Si–H和Zr–Cl键。6与锂胺反应，根据氮原子的碱性和其氨基取代基的立体要求，产生不同的产物。与LiN(SiMe3)2和LiNH(2,6-Me2C6H3)反应得到相应的氨基锆配合物[Zr (SiMe2H)}(NRR')Cl2]（R = R' = SiMe37；R = H，R' = 2,6-Me2C6H38），但在与LiNHtBu反应的情况下，形成了已知的环戊二烯基硅基氨基衍生物[Zr(η5,η1- SiMe2NtBu)Cl2]。通过4和5与适当的氨基或甲基试剂反应，合成了单氨基、二氨基和二烷基二环戊二烯基配合物[Zr( R) (SiMe2H)}X(Y)]（R = SiMe2H 9或H 10，X = Cl，Y = NHtBu；R = SiMe2H 11或H 12，X = Y = NHtBu；R = SiMe2H 13或H 14，X = Y = Me）。化合物9与化学计量水反应，选择性水解Zr–氨基键，得到相应的μ-氧二核配合物[Zr[ (SiMe2H)]2Cl}2(μ-O)] 15。通过X射线晶体学确定了[Zr (SiMe2H)}Cl3] 6的分子结构。化合物6在固态下是二聚体，二聚化通过Zr–H–Si暂稳相互作用和两个氯桥实现。
• Substituted Ferrocenylboranes - Potential Ligand Precursors for ansa- Metallocenes, Constrained Geometry Complexes and ansa-Diamido Complexes
  作者：Holger Braunschweig、Frank M. Breitling、Katharina Kraft、Mario Kraft、Fabian Seeler、Sascha Stellwag、Krzysztof Radacki

  DOI：10.1002/zaac.200500365

  日期：2006.1

  range of potential ligand precursors and related compounds have been synthesized from ferrocenyldibromoborane and ferrocenylenebis(dibromoborane) via salt elimination reactions. These comprise ligand precursors suitable for the preparation of (i) ansa-metallocenes such as [FcB(η1-C5H5)2] (2), [FcB(1-C9H7)2] (3), [FcB(3-C9H7)2] (4) and [1,1′-fcB(3-C9H7)2}2] (11), (ii) constrained geometry complexes such

  已经从二茂铁基二溴硼烷和二茂铁基双（二溴硼烷）通过盐消除反应合成了广泛的潜在配体前体和相关化合物。这些包括适合于制备 (i) 柄型金属茂的配体前体，例如 [FcB(η1-C5H5)2] (2)、[FcB(1-C9H7)2] (3)、[FcB(3- ) 2] (4) 和 [1,1'-fcB(3- )2}2] (11), (ii) 受约束的几何复合物，例如 [FcB(1- )N(H)Ph] ( 7) 和 [FcB(3- )N(H)Ph] (8), (iii) ansa-diamido 复合物如 [FcB(N(H)Ph)2] (9) 以及 (iv)相关化合物 [FcB(Br)N(H)tBu] (5), [FcB(Br)N(H)Ph] (6), [1,1'-fcB(Br)N(SiMe3)2} 2] (12) 和 [1,1'-fcB(Br)NiPr2}2] (13)（Fc