| 162795-72-4

• CAS: 162795-72-4
• 化学式: C₂₆H₆₀Cl₂Ga₂N₂Si₄
• 分子量: 723.47
• InChiKey: ZJCYEEYMEZSPNX-PCWUSSOGSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  、 氯化镓 以 乙醚 为溶剂， 以46%的产率得到
  参考文献：
  名称：

  1,4-Bis(trimethylsilyl)but-2-ene-1,4-diyl Complexes of Lithium, Magnesium, Aluminum, and Gallium

  摘要：

  (Z)-1,4-Dilithio-1,4-bis(trimethylsilyl) has been prepared as a THF (tetrahydrofuran) adduct, [{(CH(Me(3)Si)CH)(2)Li-2(THF)(2)}(2)] (4), via demetalation of the (E)-but-2-ene precursor using n-BuLi in THF and by reduction of (E,E)-1,4-bis(trimethylsilyl)buta-1,3-diene by lithium in THF. The complex is dimeric in the solid state with two lithium atoms bridging the (Z)-but-2-ene-1,4-diyl units; the other two lithium atoms are external to the dianion moieties and are solvated by two THF molecules, forming a Li(dianion)Li-2(dianion)Li inverted double-decker sandwich structure. Treatment of the (Z)-1,4-dilithio-1,4-bis(trimethylsilyl)but-2-ene adduct of TMEDA (double bond N,N,N',N'-tetramethylethylenediamine), [(CH(Me(3)Si)CH)(2){Li(TMEDA)}(2)] (3), with (a) MgCl2 or i-PrMgCl in diethyl ether results in formation of the TMEDA adduct of the magnesacyclopent-3-ene, isolated as [{meso-(CH(Me(3)Si)CH)(2)Mg}(TMEDA)] (5) or (b) MeAlCl(2), Et(2)AlCl, or GaCl3 in diethyl ether results in stereospecific formation of the corresponding metallacyclopent-3-enes, isolated as [{meso-HC(Me(3)Si)HC)(2)MR}(2)(TMEDA)] (M = Al, R = Me (6a), Et (6b); M = Ga, R = Cl (7)). Assignment of the meso isomers for 5-7 is based on NMR data and X-ray crystal structure determination for 5 6b, and 7. Crystals of 4 are monoclinic, space group P2(1)/n (No. 14), with a = 9.874(5) Angstrom, b = 19.691(5) Angstrom, c = 12.563(7) Angstrom, beta = 94.46(3)degrees, V = 2435(2) Angstrom(3), and Z = 2. Crystals of 5 are monoclinic, space group P2(1)/c (No. 14), with a = 13.535(5) Angstrom, b = 12.464(5) Angstrom, c = 16.128(7) Angstrom, beta = 101.69(3)degrees, V = 2660(10) Angstrom(3), and Z = 4. Crystals of 6b are orthorhombic, space group Pbca (No. 61), with a = 17.689(2) Angstrom, b = 16.743(2) Angstrom, c = 14.091(5) Angstrom, V = 4173(1) Angstrom(3), and Z = 4. Crystals of 7 are monoclinic, space group P2(1)/n (No. 14), with a = 14.118(5) Angstrom, b = 17.309(2) Angstrom, c = 16.000(6) Angstrom, beta = 91.96(2)degrees, V = 3908(2) Angstrom(3), and Z = 4.

  DOI：

  10.1021/om00003a040