N-dichloroacetyl-2,4,5-trimethyl-2-ethyl-1,3-oxazolidine | 1408006-02-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: N-dichloroacetyl-2,4,5-trimethyl-2-ethyl-1,3-oxazolidine
• 英文别名: 2,2-Dichloro-1-(2-ethyl-2,4,5-trimethyl-1,3-oxazolidin-3-yl)ethanone；2,2-dichloro-1-(2-ethyl-2,4,5-trimethyl-1,3-oxazolidin-3-yl)ethanone
• CAS: 1408006-02-9
• 化学式: C₁₀H₁₇Cl₂NO₂
• 分子量: 254.156
• InChiKey: XFECUJFQLGDTJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二氯乙酰氯 、 在 sodium hydroxide 作用下， 以 水 为溶剂， 以79.5%的产率得到N-dichloroacetyl-2,4,5-trimethyl-2-ethyl-1,3-oxazolidine
  参考文献：
  名称：

  One-Pot Microwave-Assisted Synthesis of Novel SubstitutedN-Dichloroacetyl-4,5-dimethyl-1,3-oxazolidines

  摘要：

  A one‐pot and efficient synthesis of substituted N‐dichloroacetyl‐4,5‐dimethyl‐1,3‐oxazolidines utilizing the reaction of alkamine with aldehyde or ketone in refluxing benzene under microwave irradiation was described. The N‐acylation was followed with dichloroacetyl chloride and NaOH acting as the attaching acid agent. All compounds were characterized by IR, 1H NMR, 13C NMR, and element analysis. Additionally, the absolute configuration of 4a was determined by X‐ray crystallography. All the compounds were tested for their herbicide safeners activity of protecting the maize from the injury of acetochlor.

  DOI：

  10.1002/jhet.951

文献信息

• One-Pot Microwave-Assisted Synthesis of Novel Substituted<i>N</i>-Dichloroacetyl-4,5-dimethyl-1,3-oxazolidines
  作者：Ying Fu、Lei Yang、Fei Ye、Shuang Gao

  DOI：10.1002/jhet.951

  日期：2012.9

  A one‐pot and efficient synthesis of substituted N‐dichloroacetyl‐4,5‐dimethyl‐1,3‐oxazolidines utilizing the reaction of alkamine with aldehyde or ketone in refluxing benzene under microwave irradiation was described. The N‐acylation was followed with dichloroacetyl chloride and NaOH acting as the attaching acid agent. All compounds were characterized by IR, 1H NMR, 13C NMR, and element analysis. Additionally, the absolute configuration of 4a was determined by X‐ray crystallography. All the compounds were tested for their herbicide safeners activity of protecting the maize from the injury of acetochlor.