2-<<2-<(4-hydroxybutyl)amino>-5-isopropyl-2,4,6-cycloheptatrien-1-ylidene>amino>-1-butanol

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-<<2-<(4-hydroxybutyl)amino>-5-isopropyl-2,4,6-cycloheptatrien-1-ylidene>amino>-1-butanol
• 英文别名: 4-[[7-(4-Hydroxybutylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]amino]butan-1-ol；4-[[7-(4-hydroxybutylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]amino]butan-1-ol
• 化学式: C₁₈H₃₀N₂O₂
• 分子量: 306.448
• InChiKey: BXBSFHOBEYDYFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  64.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-isopropylbenzocyclohept<1,4>oxazine 、 4-氨基-1-丁醇 以 乙醇 为溶剂， 反应 30.0h， 以65%的产率得到2-<<2-<(4-hydroxybutyl)amino>-5-isopropyl-2,4,6-cycloheptatrien-1-ylidene>amino>-1-butanol
  参考文献：
  名称：

  Synthesis and Properties of Diisopropylteraazabis(tropocoronand)s and Related Podands

  摘要：

  The reaction of 8-isopropylbenzo[b]cyclohept[e][1,4]oxazine (3b) with a 1.2 equivalent of alpha,omega-alkanediamines (2, n=3-12) afforded diisopropyltropocoronands (4, n,n'=3-12) in a one-pot procedure, while the reaction of 3b with an excess of 2 mainly gave isopropyltropopodands (8)(n,n'=4-6). The reactions of 3b with omega-aminoalcohol afforded the corresponding dihydroxy podands 11. A single-crystal X-ray diffraction analysis of the nickel (II)-complex (12b) obtained from 4 (n,n'=5) was made.

  DOI：

  10.3987/com-94-s91

文献信息

• Synthesis and Properties of Diisopropylteraazabis(tropocoronand)s and Related Podands
  作者：Kimio Shindo、Luo-Cheng Zhang、Hidetsugu Wakabayashi、Hirosi Miyamae、Sumio Ishikawa、Tetsuo Nozoe

  DOI：10.3987/com-94-s91

  日期：——

  The reaction of 8-isopropylbenzo[b]cyclohept[e][1,4]oxazine (3b) with a 1.2 equivalent of alpha,omega-alkanediamines (2, n=3-12) afforded diisopropyltropocoronands (4, n,n'=3-12) in a one-pot procedure, while the reaction of 3b with an excess of 2 mainly gave isopropyltropopodands (8)(n,n'=4-6). The reactions of 3b with omega-aminoalcohol afforded the corresponding dihydroxy podands 11. A single-crystal X-ray diffraction analysis of the nickel (II)-complex (12b) obtained from 4 (n,n'=5) was made.