1-Chlor-2-aethylbutadien-2,3 | 29777-07-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 英文名称: 1-Chlor-2-aethylbutadien-2,3
• 英文别名: 3-Chlormethyl-penta-1,2-dien；4-chloro-3-ethyl-1,2-butadiene；3-chloromethyl-penta-1,2-diene
• CAS: 29777-07-9
• 化学式: C₆H₉Cl
• 分子量: 116.59
• InChiKey: AJRILYWHGRTPBH-UHFFFAOYSA-N

物化性质

• 沸点：
  143.0±10.0 °C(Predicted)
• 密度：
  0.879±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  乙烯双(三苯基磷)铂 、 1-Chlor-2-aethylbutadien-2,3 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 {Pt(1,2,3-η)-trans-CH2C(CH2CH3)C=CH2(PPh3)2}{PF6}
  参考文献：
  名称：

  Reactions of co-ordinated ligands. Part 57. Synthesis, structure and interrelationship of 2-σ-butadienyl and cationic (1,2,3-η)-trans-butadienyl-platinum and -palladium complexes; crystal structures of cis-[PtCl{σ-C(CH₂)C(Et)CH₂}(dppf)] and [Pt{(1,2,3-η)-trans-CH₂C(Et)CCH₂}(PPh₃)₂][PF₆][dppf = 1,1′-bis(diphenylphosphino)ferrocene]

  摘要：

  Reaction of the platinum(o) complexes [Pt(C2H4) (PPh3)2], [Pt(C2H4) (dppf)] [dppf = 1,1-bis(diphenylphosphino)ferrocene], [Pt(cod)2] (cod = cyclocta-1,5 diene) and the palladium(o) complex [Pd(PPh3)4] with the 4-chlorobuta-1,2-dienes CH2=C=C(R)CH2Cl (R = Me or Et) affords trans or cis 2-sigma-butadienyl complexes of the general formula [MCI{sigma-C(CH2)C(R)=CH2}L2]; the structural identity of cis-[PtCl{sigma-C(CH2)C(Et)=CH2}(dppf)] was confirmed by single-crystal X-ray diffraction. Treatment of [Pt(C2H4)(PPh3)2] or [Pt(C2H4)(dppf)] with an excess of 2-chlorobuta-1,3-diene leads to the formation of the corresponding unsubstituted 2-sigma-butadienyl platinum complexes. Addition of thallium hexafluorophosphate to these 2-sigma-butadienyl complexes results in elimination of TlCl and formation in high yield of a range of cationic (1,2,3-eta)-trans-butadienyl complexes characterised by NMR spectroscopy, and in the case of [Pt{1,2,3-eta)-trans-CH2C(Et)C=CH2}(PPh3)2][PF6] by single crystal X-ray diffraction.

  DOI：

  10.1039/dt9930003785

文献信息

• Reactions of co-ordinated ligands. Part 54. Synthesis of (1,2,3-η)-trans-butadienyl complexes by deprotonation or desilylation of cationic molybdenum 1,3-diene complexes; formation of η⁴-vinylketene complexes and crystal structures of [Mo{(1,2,3-η)-trans-CH₂CHCCH₂}(CO)₂(η-C₅Me₅)], [Mo{η³-CH₂CC(Me)CH₂CO}(CO)₂(η-C₅Me₅)] and [Mol{η⁴-CH₂CHC(Me)CO}(CO)(η-C₅Me₅)]
  作者：Stephen A. Benyunes、Robert J. Deeth、Arno Fries、Michael Green、Mary McPartlin、Caroline B. M. Nation

  DOI：10.1039/dt9920003453

  日期：——

  [NBun4]F with the cation [Moη4-CH2CHC(SiEt3)CH2}(CO)2(η-C5Me5)][BF4]. The desilylation reaction has also been used to transform [Moη4-syn-CH(Ph)CHC(SiMe3)CH2}(CO)2(η-C5Me5)][BF4] into a mixture of exo- and endo-[Mo(1,2,3-η)-trans-syn-CH(Ph)CHCCH2}(CO)2(η-C5Me5)]. An alternative synthetic route to (1,2,3-η)-trans-butadienyl complexes was explored involving reaction of Li[Mo(CO)3(η-C5Me5)] with CH2CC(Me)CH2Cl

  一个基座的Li [N（森的反应的产物的3）2 ]与[沫（η 4 -C 4 H ^ 6）（CO）2（η-C 5我5）] [BF 4 ]是外-orientated（1,2,3-η） -反式-butadienyl络合物[沫（1,2,3-η） -反式-CH 2 CHC CH 2 }（CO）2（η-C 5我5） ]。后者的单晶X射线衍射研究表明，两个相邻的π系统，烯丙基和C CH 2丁二烯片段中的α彼此正交。该复合物可以通过下述物质反应[NBU选择性和高收率形成Ñ 4 f让阳离子[沫η] 4 -CH 2 CHC（SIET 3）CH 2 }（CO）2（η-C 5我5） ] [BF 4 ]。的脱甲硅烷基反应也被用于转化[沫η 4 -顺式-CH（PH）CHC（森达3）CH 2 }（CO）2（η-C 5我5）] [BF 4 ]成的混合物exo-和内- [钼（1,2,3-η） -反式-顺式-CH（PH）CHC
• Reactions of co-ordinated ligands. Part 57. Synthesis, structure and interrelationship of 2-σ-butadienyl and cationic (1,2,3-η)-trans-butadienyl-platinum and -palladium complexes; crystal structures of cis-[PtCl{σ-C(CH₂)C(Et)CH₂}(dppf)] and [Pt{(1,2,3-η)-trans-CH₂C(Et)CCH₂}(PPh₃)₂][PF₆][dppf = 1,1′-bis(diphenylphosphino)ferrocene]
  作者：Stephen A. Benyunes、Lutz Brandt、Arno Fries、Michael Green、Mary F. Mahon、Trevor M. T. Papworth

  DOI：10.1039/dt9930003785

  日期：——

  Reaction of the platinum(o) complexes [Pt(C2H4) (PPh3)2], [Pt(C2H4) (dppf)] [dppf = 1,1-bis(diphenylphosphino)ferrocene], [Pt(cod)2] (cod = cyclocta-1,5 diene) and the palladium(o) complex [Pd(PPh3)4] with the 4-chlorobuta-1,2-dienes CH2=C=C(R)CH2Cl (R = Me or Et) affords trans or cis 2-sigma-butadienyl complexes of the general formula [MCIsigma-C(CH2)C(R)=CH2}L2]; the structural identity of cis-[PtClsigma-C(CH2)C(Et)=CH2}(dppf)] was confirmed by single-crystal X-ray diffraction. Treatment of [Pt(C2H4)(PPh3)2] or [Pt(C2H4)(dppf)] with an excess of 2-chlorobuta-1,3-diene leads to the formation of the corresponding unsubstituted 2-sigma-butadienyl platinum complexes. Addition of thallium hexafluorophosphate to these 2-sigma-butadienyl complexes results in elimination of TlCl and formation in high yield of a range of cationic (1,2,3-eta)-trans-butadienyl complexes characterised by NMR spectroscopy, and in the case of [Pt1,2,3-eta)-trans-CH2C(Et)C=CH2}(PPh3)2][PF6] by single crystal X-ray diffraction.