1-{(3-dimethylamino)propyl}-1-indacyclohexane

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-{(3-dimethylamino)propyl}-1-indacyclohexane
• 英文别名: 3-(indiginan-1-yl)-N,N-dimethylpropan-1-amine
• 化学式: C₁₀H₂₂InN
• 分子量: 271.111
• InChiKey: CYVGGRDQSXGNGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.62
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氯化铟 、 3-dimethylaminopropyllithium 、 bromo-[5-(bromomagnesio)pentyl]magnesium 以 四氢呋喃 、 乙醚 为溶剂， 以27%的产率得到1-{(3-dimethylamino)propyl}-1-indacyclohexane
  参考文献：
  名称：

  Intramolekular stabilisierte galla- und Indacyclohexane, -cyclopentane und -cyclopentene; Ro¨ntgenstrukturanalyse von (CH2)5Ga(CH2)3NM

  摘要：

  The intramolecularly stabilized metallacyclic organogallium and organoindium compounds (CH2)(n)M(CH2)(3)NR(2) (2, 3, 4, 7) and (CH2)(n)GaCH(2)CHMeCH(2)NMe(2) (5, 6) have been synthesized from GaCl3 or InCl3 and (3-dimethylamino)propyl lithium, (3-diethylamino)propyl lithium or (3-dimethylamino)-2-methylpropyl lithium, and BrMg(CH2)(n)MgBr (n = 4, 5). (C6F5)(2)InBr reacts with (3-dimethylamino)propyl lithium yielding (C6F5)(2)In(CH2)(3)NMe(2) (8), and CH(2)CMe=CMeCH(2)Ga(CH2)(3)NMe(2) (10) was made from (C5H5)(2)ZrCH(2)CMe=CMeCH(2) and Cl2Ga(CH2)(3)NMe(2). The H-1, C-13 NMR and mass spectra of the new compounds, as well as the X-ray crystal structure analyses of 4, 6, and 8 are discussed.

  DOI：

  10.1016/0022-328x(94)88023-9

文献信息

• Intramolekular stabilisierte galla- und Indacyclohexane, -cyclopentane und -cyclopentene; Ro¨ntgenstrukturanalyse von (CH2)5Ga(CH2)3NM
  作者：Herbert Schumann、Oliver Just、Thomas D. Seuß、Frank H. Go¨rlitz、Roman Weimann

  DOI：10.1016/0022-328x(94)88023-9

  日期：1994.2

  The intramolecularly stabilized metallacyclic organogallium and organoindium compounds (CH2)(n)M(CH2)(3)NR(2) (2, 3, 4, 7) and (CH2)(n)GaCH(2)CHMeCH(2)NMe(2) (5, 6) have been synthesized from GaCl3 or InCl3 and (3-dimethylamino)propyl lithium, (3-diethylamino)propyl lithium or (3-dimethylamino)-2-methylpropyl lithium, and BrMg(CH2)(n)MgBr (n = 4, 5). (C6F5)(2)InBr reacts with (3-dimethylamino)propyl lithium yielding (C6F5)(2)In(CH2)(3)NMe(2) (8), and CH(2)CMe=CMeCH(2)Ga(CH2)(3)NMe(2) (10) was made from (C5H5)(2)ZrCH(2)CMe=CMeCH(2) and Cl2Ga(CH2)(3)NMe(2). The H-1, C-13 NMR and mass spectra of the new compounds, as well as the X-ray crystal structure analyses of 4, 6, and 8 are discussed.