1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2,2-dimethylpropan-1-one | 381227-86-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2,2-dimethylpropan-1-one
• CAS: 381227-86-7
• 化学式: C₁₃H₁₈N₂O
• 分子量: 218.299
• InChiKey: LMBSOSLRWNJRKA-UHFFFAOYSA-N

物化性质

• 沸点：
  396.9±30.0 °C(Predicted)
• 密度：
  1.084±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2,2-dimethylpropan-1-one 在 Rh/Al₂O₃ 硼烷四氢呋喃络合物 、 氢气 作用下， 20.0 ℃ 、6.89 MPa 条件下， 生成
  参考文献：
  名称：

  Synthesis and conformational properties of N-monoalkyl 1,5-diaza-cis-decalins

  摘要：

  N-Monoalkyl 1,5-diaza-cis-decalins were synthesized in high yield and purity by derivatization of tetrahydronaphthyridine followed by reduction to the saturated system. The position of the conformational equilibrium between the chair-chair inversion forms of a series of four N-monoalkyl of 1,5-diaza-cis-decalins was measured and was directly related to the size of the N-alkyl group. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01344-2
• 作为产物：
  描述：

  1,5-萘啶 在 Rh/Al₂O₃ 氢气 作用下， 20.0 ℃ 、101.33 kPa 条件下， 生成 1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2,2-dimethylpropan-1-one
  参考文献：
  名称：

  Synthesis and conformational properties of N-monoalkyl 1,5-diaza-cis-decalins

  摘要：

  N-Monoalkyl 1,5-diaza-cis-decalins were synthesized in high yield and purity by derivatization of tetrahydronaphthyridine followed by reduction to the saturated system. The position of the conformational equilibrium between the chair-chair inversion forms of a series of four N-monoalkyl of 1,5-diaza-cis-decalins was measured and was directly related to the size of the N-alkyl group. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)01344-2

文献信息

• Synthesis and conformational properties of N-monoalkyl 1,5-diaza-cis-decalins
  作者：Xu Xie、Dana A Freed、Marisa C Kozlowski

  DOI：10.1016/s0040-4039(01)01344-2

  日期：2001.9

  N-Monoalkyl 1,5-diaza-cis-decalins were synthesized in high yield and purity by derivatization of tetrahydronaphthyridine followed by reduction to the saturated system. The position of the conformational equilibrium between the chair-chair inversion forms of a series of four N-monoalkyl of 1,5-diaza-cis-decalins was measured and was directly related to the size of the N-alkyl group. (C) 2001 Elsevier Science Ltd. All rights reserved.