[(η-C5Me5)Re(NO)(CO)(NCCH3)]+BF4- | 86507-83-7

• 英文名称: [(η-C5Me5)Re(NO)(CO)(NCCH3)]+BF4-
• 英文别名: (η5-pentamethylcyclopentadienyl)rhenium(I)(acetonitrile)(carbonyl)(NO)BF4；[(η5-C5Me5)Re(NO)(NCCH3)(CO)]BF4
• CAS: 86507-83-7
• 化学式: BF₄*C₁₃H₁₈N₂O₂Re
• 分子量: 507.31
• InChiKey: MSXQDIAIGRAQEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(η-C5Me5)Re(NO)(CO)(NCCH3)]+BF4- 在 三苯基膦 作用下， 以 methyl ethyl ketone=butan-2-one 为溶剂， 以82%的产率得到{(η5-C5Me5)(NO)(PPh3)ReCO}BF4
  参考文献：
  名称：

  式 [(eta.-C5Me5)Re(NO)(L)(:CH2)]+ PF6- 的稳定亚甲基配合物的合成、性质和 X 射线晶体结构

  摘要：

  合成这些par反应依次是partir de Re 2 (CO) 10 、五甲基环戊二烯和NOBF 4 。练习曲 IR、RMN 和 RX

  DOI：

  10.1021/ja00356a018
• 作为产物：
  描述：

  {(C5Me5)Re(CO)2(NO)}BF4 、 乙腈 在 亚碘酰苯 作用下， 以 乙腈 为溶剂， 以91%的产率得到[(η-C5Me5)Re(NO)(CO)(NCCH3)]+BF4-
  参考文献：
  名称：

  式 [(eta.-C5Me5)Re(NO)(L)(:CH2)]+ PF6- 的稳定亚甲基配合物的合成、性质和 X 射线晶体结构

  摘要：

  合成这些par反应依次是partir de Re 2 (CO) 10 、五甲基环戊二烯和NOBF 4 。练习曲 IR、RMN 和 RX

  DOI：

  10.1021/ja00356a018

文献信息

• Syntheses of Dimetallamacrocycles by Intramolecular Oxidative Couplings of Dinuclear Bis(1,3‐butadiynyl) Complexes: A New Approach to Steric Shielding in (sp‐Carbon chain)dirhenium Complexes [(η ⁵ ‐C ₅ Me ₅ )Re(NO)(PR ₃ )(C≡CC≡CC≡CC≡C)(R ₃ P)(ON)Re(η ⁵ ‐C ₅ Me ₅ )]
  作者：Clemens R. Horn、John A. Gladysz

  DOI：10.1002/ejic.200300043

  日期：2003.6

  Reactions of the chiral racemic carbonyl complex [(η5-C5Me5)Re(NO)(NCCH3)(CO)]+·BF4− and diphosphanes Ph2P(CH2)nPPh2 [2.4:1.0 mol ratio; n = 10 (a), 14 (b)] give the (bridging phosphane)dirhenium complexes [(η5-C5Me5)Re(NO)(CO)μ-[PPh2(CH2)nPh2P]-P,P}(OC)(ON)Re(η5C5Me5)]2+·2BF4− (73−80%), which are reduced (LiAlH4) to the dimethyl complexes [(η5-C5Me5)Re(NO)(CH3)μ-[PPh2(CH2)nPh2P]-P,P}(ON)(H3C)Re(η5-C5Me5)]

  手性外消旋羰基配合物 [(η5-C5Me5)Re(NO)(NC )(CO)]+·BF4- 和二膦 Ph2P(CH2)nPPh2 [2.4:1.0 摩尔比；n = 10 (a), 14 (b)] 给出（桥接磷烷）二铼配合物 [(η5-C5Me5)Re(NO)(CO)μ-[PPh2( )nPh2P]-P,P}(OC )(ON)Re(η5C5Me5)]2+·2 − (73−80%)，它们被还原成 (LiAlH4) 成二甲基配合物 [(η5-C5Me5)Re(NO)(CH3)μ-[PPh2( )nPh2P]-P,P}(ON)(H3C)Re(η5-C5Me5)] (92-96%)。与 H ·OEt2/C6H5Cl、HC≡CC≡CSiMe3 和 tBuOK 反应，通过 π-HC≡C 加合物（89-94%）得到双（三甲基甲硅烷基丁二炔基）配合物 [(η5-C5Me5)Re(NO)(C
• Synthesis and oxidation of chiral rhenium phosphine methyl complexes of the formula (η5-C5Me5)Re(NO)(PR3)(CH3): in search of radical cations with enhanced kinetic stabilities
  作者：Wayne E Meyer、Angelo J Amoroso、Monika Jaeger、Jean Le Bras、Wing-Tak Wong、J.A Gladysz

  DOI：10.1016/s0022-328x(00)00528-3

  日期：2000.12

  Reactions of racemic [(η5-C5Me5)Re(NO)(NCCH3)(CO)]+ BF4− and phosphines PR3 (R=C6H5a; 4-C6H4CH3b; 4-C6H4-t-C4H9c; 4-C6H4C6H5d; 4-C6H4OCH3e; c-C6H11f) give the phosphine carbonyl complexes [(η5-C5Me5)Re(NO)(PR3)(CO)]+ BF4− (5a–5f+ BF4−; 55–95%). These are treated with LiEt3BH and then BH3·THF to give the phosphine methyl complexes (η5-C5Me5)Re(NO)(PR3)(CH3) (2a–2f, 50–86%). Cyclic voltammetry shows

  外消旋的反应[（η 5 -C 5我5）的Re（NO）（NCCH 3）（CO）] + BF 4 -和膦PR 3（R = C 6 H ^ 5一; 4-C 6 H ^ 4 CH 3 b ; 4-C 6 H ^ 4 -吨-C 4 ħ 9 ç ; 4-C 6 H ^ 4 ç 6 ħ 5 d ; 4-C 6 H ^ 4 OCH 3 é ;Ç -C 6 ħ 11 ˚F）得到膦羰基配合物[（η 5 -C 5我5）的Re（NO）（PR 3）（CO）] + BF 4 - （5A - 5F + BF 4 - ; 55- 95％）。这些都与LIET处理3 BH和BH然后3 ·THF，得到膦络合物甲基（η 5 -C 5我5）的Re（NO）（PR 3）（CH 3）（图2a - 2f中，50–86％）。循环伏安法表明，新化合物2b - 2f经过化学可逆的单电子氧化，在热力​​学上比2a氧化（ΔE °= 0.07、0.07、0
• Olefin Metatheses in Metal Coordination Spheres:  A New Approach to Steric Shielding in Dirhenium sp Carbon Chain Complexes of the Formula (η⁵-C₅Me₅)Re(NO)(PR₃)(C⋮CC⋮CC⋮CC⋮C)(R₃P)(ON)Re(η⁵-C₅Me₅)
  作者：Clemens R. Horn、José Miguel Martín-Alvarez、J. A. Gladysz

  DOI：10.1021/om020676y

  日期：2002.11.1

  Reaction of chiral racemic [(eta(5)-C5Me6)Re(NO)(NCCH3)(CO)]+BF4- and the olefin-containing phosphine Ph2P(CH2)(6)CH = CH2 (2-butanone, reflux) gives [(eta(5)-C5Me5)Re(NO)(PPh2(CH2)(6)CH = CH2)(CO)]+BF4- (95%), which is reduced (LiAlH4) to the phosphine methyl complex (eta(5)-C5Me5)Re(NO)(PPh2(CH2)(6)CH = CH2)(CH3) (92%).,Reactions with HBF4.OEt2/chloroben-zene, HCequivalent toCCequivalent toCSiMe(3), and t-BuOK give (eta(5)-C5Me5)Re(NO)(PPh2(CH2)(6)CH = CH2)(C equivalent to CC equivalent to CSiMe3) (two steps, 96%/81%). Desilylation (wet n-Bu4N+F-) yields a butadiynyl complex (88%), which is coupled (Cu(OAc)(2)/pyridine) to the mu-octatetraynediyl complex (eta(5)-C5Me5)-Re(NO)(PPh2(CH2)(6)CH=CH2)(C equivalent to CC equivalent to CC equivalent to CC equivalent to C)(H2C=CH(CH2)(6)PPh2)(ON)Re(eta(5)-C5Me5) (16, 63%), believed to be a mixture of diastereomers. The reaction of 16 and Grubbs' catalyst, Ru(=CHPh)(PCY3)(2)(Cl)(2), gives (eta(5)-C5Me5)Re(NO)(PPh2(CH2)(6)CH=CH)(Cequivalent to CC equivalent to CC equivalent to C)- ((CH2)(6)PPh2)(ON)Re(eta(5)-C5Me5) (17, 77-84%) as a mixture of isomers. However, the hydrogenation of 17 to the target molecule (eta(5)-C5Me5)Re(NO)(PPh2(CH2)(7))(Cequivalent toCCequivalent toCCequivalent toCCequivalent toC)((CH2)(7)PPh2)(ON)Re(eta(5) -C5Me5) (18), while sometimes successful, could not be scaled or effected in a reproducible manner.