AlCl2[C4H2N(CH2NMe2)2-2,5] | 350488-72-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: AlCl2[C4H2N(CH2NMe2)2-2,5]
• 英文别名: aluminum;1-[5-[(dimethylamino)methyl]pyrrol-1-id-2-yl]-N,N-dimethylmethanamine;dichloride
• CAS: 350488-72-1
• 化学式: C₁₀H₁₈AlCl₂N₃
• 分子量: 278.161
• InChiKey: BXYHEIJJZOUJJY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.61
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  7.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  lithium aluminium deuteride 、 AlCl2[C4H2N(CH2NMe2)2-2,5] 以 乙醚 为溶剂， 生成 [C4H2N(2,5-CH2NMe2)2Al2D5]2
  参考文献：
  名称：

  具有2,5-双（（二甲基氨基）甲基）吡咯配体稳定的方形四氢核的氢化物桥联铝络合物

  摘要：

  新型氢化物桥联四核铝络合物{AlH 2 [C 4 H 2 N（CH 2 NMe 2）2 -2,5] AlH 3 } 2（2）和相关的氘络合物{AlD 2 [C 4 H 2 N （CH 2 NMe 2）2 -2,5] AlD 3 } 2（2-D）已通过AlCl 2 [C 4 H 2 N（CH 2 NMe 2）2-2,5]（1）与2当量的LiAlH的4或LiAlD 4。复杂的2-D晶体结构揭示了一种不寻常的结构，其中铝原子呈正方形平面排列。的反应2与2当量为h 2 ö在乙醚中，得到二氢化铝络合物[C 4 H ^ 2 N（CH 2 NME 2）2 -2,5]的AlH 2（3）。

  DOI：

  10.1021/om010368k
• 作为产物：
  描述：

  三氯化铝 、 Li(α,α'-bis((dimethylamino)methyl)pyrrolyl) 以 乙醚 为溶剂， 以84%的产率得到AlCl2[C4H2N(CH2NMe2)2-2,5]
  参考文献：
  名称：

  Synthesis and Characterization of Organoaluminum Complexes Containing Bi- or Tridentate-Substituted Pyrrole Ligands

  摘要：

  Reactions of AlCl3 with 1 equiv of Li{C4H2N(CH2NMe2)(2)-2,5} or 2 equiv of Li{C4H3N(CH2NMe2)-2} in diethyl ether at -78 degreesC afforded AlCl2{C4H2N(CH2NMe2)(2)-2,5} (1) and AlCl{C4H3N(CH2NMe2)-2} (2), respectively. Alkylation of 1 with MeLi in diethyl ether generates the aluminum dimethyl complex 3. Compound 2 is thermally unstable and was converted to uncharacterized product in CHCl3 within 2 days at 80 degreesC. Compounds 1, 2, and 3 were characterized by NMR spectroscopy and X-ray structure determination.

  DOI：

  10.1021/om000951l

文献信息

• An Unusual Hydride-Bridged Aluminum Complex with a Square-Planar Tetraaluminum Core Stabilized by 2,5-Bis((Dimethylamino)methyl)pyrrole Ligands
  作者：Jr-Chiuan Chang、Chen-Hsiung Hung、Jui-Hsien Huang

  DOI：10.1021/om010368k

  日期：2001.10.1

  The novel hydride-bridged tetranuclear aluminum complex AlH2[C4H2N(CH2NMe2)2-2,5]AlH3}2 (2) and the related deuterium complex AlD2[C4H2N(CH2NMe2)2-2,5]AlD3}2 (2-D) have been synthesized by reaction of AlCl2[C4H2N(CH2NMe2)2-2,5] (1) with 2 equiv of LiAlH4 or LiAlD4. The crystal structure of complex 2-D reveals an unusual structure in which the aluminum atoms are in a square-planar arrangement. Reaction

  新型氢化物桥联四核铝络合物AlH 2 [C 4 H 2 N（CH 2 NMe 2）2 -2,5] AlH 3 } 2（2）和相关的氘络合物AlD 2 [C 4 H 2 N （CH 2 NMe 2）2 -2,5] AlD 3 } 2（2-D）已通过AlCl 2 [C 4 H 2 N（CH 2 NMe 2）2-2,5]（1）与2当量的LiAlH的4或LiAlD 4。复杂的2-D晶体结构揭示了一种不寻常的结构，其中铝原子呈正方形平面排列。的反应2与2当量为h 2 ö在乙醚中，得到二氢化铝络合物[C 4 H ^ 2 N（CH 2 NME 2）2 -2,5]的AlH 2（3）。
• Synthesis and Characterization of Organoaluminum Complexes Containing Bi- or Tridentate-Substituted Pyrrole Ligands
  作者：Jui-Hsien Huang、Hsing-Jen Chen、Jr-Chiuan Chang、Chong-Chin Zhou、Gene-Hsiang Lee、Shie-Ming Peng

  DOI：10.1021/om000951l

  日期：2001.6.1

  Reactions of AlCl3 with 1 equiv of LiC4H2N(CH2NMe2)(2)-2,5} or 2 equiv of LiC4H3N(CH2NMe2)-2} in diethyl ether at -78 degreesC afforded AlCl2C4H2N(CH2NMe2)(2)-2,5} (1) and AlClC4H3N(CH2NMe2)-2} (2), respectively. Alkylation of 1 with MeLi in diethyl ether generates the aluminum dimethyl complex 3. Compound 2 is thermally unstable and was converted to uncharacterized product in CHCl3 within 2 days at 80 degreesC. Compounds 1, 2, and 3 were characterized by NMR spectroscopy and X-ray structure determination.