2,2-二甲基-1-(7-氯-4-喹啉基)-1-丙醇 | 1310816-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 2,2-二甲基-1-(7-氯-4-喹啉基)-1-丙醇
• 英文名称: 2,2-dimethyl-1-(7-chloro-4-quinolinyl)-1-propanol
• 英文别名: 1-(7-Chloroquinolin-4-yl)-2,2-dimethylpropan-1-ol；1-(7-chloroquinolin-4-yl)-2,2-dimethylpropan-1-ol
• CAS: 1310816-16-0
• 化学式: C₁₄H₁₆ClNO
• 分子量: 249.74
• InChiKey: KKHFQNOTKQOSKM-UHFFFAOYSA-N

物化性质

• 熔点：
  160.2 °C
• 沸点：
  390.4±27.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  33.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  7-氯-4-碘喹啉 在 potassium hydroxide 作用下， 以 苯 为溶剂， 反应 25.0h， 生成 7-氯喹啉 、 2,2-二甲基-1-(7-氯-4-喹啉基)-1-丙醇
  参考文献：
  名称：

  Preparation and Reaction of Quinolinyl (or Pyridinyl)phosphonium Salts with Base and Pivalaldehyde

  摘要：

  alpha- and gamma-Heteroaryltriphenylphosphonium iodides were prepared by reaction of the corresponding heteroaryl iodides with triphenylphosphine. Reaction of beta-heteroaryl iodides with triphenylphosphine in the presence of a palladium catalyst gave beta-heteroaryltriphenylphosphonium iodides. Elimination of the heteroaryl group was achieved by treating the heteroaryltriphenylphosphonium iodides with a base. Further, the heteroaryl group was trapped with pivalaldehyde to introduce a pivaloyl substituent onto the heteroaromatic ring.

  DOI：

  10.3987/com-11-12154

文献信息

• Preparation and Reaction of Quinolinyl (or Pyridinyl)phosphonium Salts with Base and Pivalaldehyde
  作者：Osamu Sugimoto、Minami Shimada、Akihiro Sato、Ken-ichi Tanji

  DOI：10.3987/com-11-12154

  日期：——

  alpha- and gamma-Heteroaryltriphenylphosphonium iodides were prepared by reaction of the corresponding heteroaryl iodides with triphenylphosphine. Reaction of beta-heteroaryl iodides with triphenylphosphine in the presence of a palladium catalyst gave beta-heteroaryltriphenylphosphonium iodides. Elimination of the heteroaryl group was achieved by treating the heteroaryltriphenylphosphonium iodides with a base. Further, the heteroaryl group was trapped with pivalaldehyde to introduce a pivaloyl substituent onto the heteroaromatic ring.