aluminum;2-aminoethyl(phenyl)azanide;carbanide | 168842-77-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: aluminum;2-aminoethyl(phenyl)azanide;carbanide
• CAS: 168842-77-1
• 化学式: C₁₀H₁₇AlN₂
• 分子量: 192.24
• InChiKey: SIMSIHISQUTQJP-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  aluminum;2-aminoethyl(phenyl)azanide;carbanide 以 甲苯 为溶剂， 以70%的产率得到[Al(μ-PhCH2CH2NH)Me]3
  参考文献：
  名称：

  Syntheses and structures of a four-co-ordinate monomeric dialkylaluminium complex and a cyclic trimeric alkylaluminium propeller complex with a bidentate amide ligand, Al(PhNCH₂CH₂NH₂)Me₂and [Al(µ-PhNCH₂CH₂NH)Me]₃

  摘要：

  The reaction of AlMe(3) with N-phenylethylenediamine in toluene at 0 degrees C yielded a mononuclear complex Al(PhNCH(2)CH(2)NH(2))Me(2) 1 as the major product and a trinuclear cyclic complex [Al(mu-PhNCH(2)CH(2)NH)Me](2) 2 as a minor product. The trinuclear complex was obtained as the major product when the reaction was carried out at 25 degrees C. The crystal structure of 1 and a cis isomer of 2. where all three methyl groups on the aluminium centres occupy the cis-axial positions of a chair conformation, have been determined by single-crystal X-ray diffraction analysis. Compound 1 can be converted into 2 either by heating or by allowing the solution to stand at 23 degrees C for a few days. Crystal data: 1, orthorhombic, space group P2(1)2(1)2(1), a = 10.304(3), b = 13.172(5), c = 8.552(3) Angstrom, Z = 4; 2, trigonal, space group pg (no. 147, hexagonal setting), a = b = 16.441(7), c = 11.184(3) Angstrom, Z = 2.

  DOI：

  10.1039/dt9950002425
• 作为产物：
  描述：

  三甲基铝 、 N-苯基乙二胺 以 甲苯 为溶剂， 以85%的产率得到aluminum;2-aminoethyl(phenyl)azanide;carbanide
  参考文献：
  名称：

  Syntheses and structures of a four-co-ordinate monomeric dialkylaluminium complex and a cyclic trimeric alkylaluminium propeller complex with a bidentate amide ligand, Al(PhNCH₂CH₂NH₂)Me₂and [Al(µ-PhNCH₂CH₂NH)Me]₃

  摘要：

  The reaction of AlMe(3) with N-phenylethylenediamine in toluene at 0 degrees C yielded a mononuclear complex Al(PhNCH(2)CH(2)NH(2))Me(2) 1 as the major product and a trinuclear cyclic complex [Al(mu-PhNCH(2)CH(2)NH)Me](2) 2 as a minor product. The trinuclear complex was obtained as the major product when the reaction was carried out at 25 degrees C. The crystal structure of 1 and a cis isomer of 2. where all three methyl groups on the aluminium centres occupy the cis-axial positions of a chair conformation, have been determined by single-crystal X-ray diffraction analysis. Compound 1 can be converted into 2 either by heating or by allowing the solution to stand at 23 degrees C for a few days. Crystal data: 1, orthorhombic, space group P2(1)2(1)2(1), a = 10.304(3), b = 13.172(5), c = 8.552(3) Angstrom, Z = 4; 2, trigonal, space group pg (no. 147, hexagonal setting), a = b = 16.441(7), c = 11.184(3) Angstrom, Z = 2.

  DOI：

  10.1039/dt9950002425