(4R,5S)-2-(chloromethyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole | 144397-07-9

• 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: (4R,5S)-2-(chloromethyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
• CAS: 144397-07-9
• 化学式: C₁₁H₁₂ClNO
• 分子量: 209.675
• InChiKey: XHZWORNHYFRRBR-LDYMZIIASA-N

物化性质

• 沸点：
  293.0±40.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 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：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4R,5S)-2-(chloromethyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole 在 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 15.5h， 生成 [(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methanol
  参考文献：
  名称：

  Preparation of Functionalized Oxazolines

  摘要：

  The preparation of several oxazolines substituted at C-2 by an hetero substituted methyl group is reported. 2-Aminomethyl, 2-azidomethyl, 2-nitromethyl and 2-hydroxymethyl oxazolines were obtained by substitution of the corresponding 2-halogenomethyl oxazolines. On the other hand, 2-benzyloxycarbonylaminomethyl, 2-thiophenylmethyl, 2-selenophenylmethyl oxazolines were prepared by condensation of the appropriate iminoether with a beta-aminoalcohol.

  DOI：

  10.1080/00397919208021650
• 作为产物：
  描述：

  左旋去甲麻黄碱 、 2-氯-1-乙氧基乙胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以60%的产率得到(4R,5S)-2-(chloromethyl)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazole
  参考文献：
  名称：

  Preparation of Functionalized Oxazolines

  摘要：

  The preparation of several oxazolines substituted at C-2 by an hetero substituted methyl group is reported. 2-Aminomethyl, 2-azidomethyl, 2-nitromethyl and 2-hydroxymethyl oxazolines were obtained by substitution of the corresponding 2-halogenomethyl oxazolines. On the other hand, 2-benzyloxycarbonylaminomethyl, 2-thiophenylmethyl, 2-selenophenylmethyl oxazolines were prepared by condensation of the appropriate iminoether with a beta-aminoalcohol.

  DOI：

  10.1080/00397919208021650

文献信息

• Preparation of Functionalized Oxazolines
  作者：P. Breton、C. André-Barrès、Y. Langlois

  DOI：10.1080/00397919208021650

  日期：1992.9

  The preparation of several oxazolines substituted at C-2 by an hetero substituted methyl group is reported. 2-Aminomethyl, 2-azidomethyl, 2-nitromethyl and 2-hydroxymethyl oxazolines were obtained by substitution of the corresponding 2-halogenomethyl oxazolines. On the other hand, 2-benzyloxycarbonylaminomethyl, 2-thiophenylmethyl, 2-selenophenylmethyl oxazolines were prepared by condensation of the appropriate iminoether with a beta-aminoalcohol.