N-[2-(3,5-dimethylphenoxy)ethyl]benzamide | 316128-77-5

• 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: N-[2-(3,5-dimethylphenoxy)ethyl]benzamide
• 英文别名: N-(2-(3,5-dimethylphenoxy)ethyl)benzamide
• CAS: 316128-77-5
• 化学式: C₁₇H₁₉NO₂
• 分子量: 269.343
• InChiKey: OAXSGJSDIRNLHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-[2-(3,5-dimethylphenoxy)ethyl]benzamide 在 sodium tetrahydroborate 、 三氯氧磷 作用下， 以 甲醇 、 乙醇 、 丙酮 、 乙腈 为溶剂， 反应 3.0h， 生成 4,6,8-trimethyl-5-phenyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
  参考文献：
  名称：

  Transformations of tetrahydro-1,4-benzoxazepines and tetrahydro-1,4-benzothiazepines under the action of alkynes. First example of the synthesis of tetrahydro-1,4-benzothiazonine-6-carboxylate

  摘要：

  It was shown that 2,3,4,5-tetrahydro-1,4-benzoxazepines were cleaved at the N-C(5) bond under the action of activated alkynes in methanol, forming o-(methoxyethyl)- and o-(methoxybenzyl)-phenyl(aminoethyl) ethers. The cleavage rate depended on the electronic effects of the substituents at the C-5 atom. Thiazepine ring expansion in tetrahydro-1,4-benzothiazepine was achieved for the first time via reaction with methyl propiolate to give a benzothiazonine.

  DOI：

  10.1007/s10593-013-1251-z
• 作为产物：
  描述：

  (3,5-dimethylphenoxy)acetonitrile 在 lithium aluminium tetrahydride 、 potassium carbonate 作用下， 以 乙醚 、 乙腈 为溶剂， 反应 20.0h， 生成 N-[2-(3,5-dimethylphenoxy)ethyl]benzamide
  参考文献：
  名称：

  Transformations of tetrahydro-1,4-benzoxazepines and tetrahydro-1,4-benzothiazepines under the action of alkynes. First example of the synthesis of tetrahydro-1,4-benzothiazonine-6-carboxylate

  摘要：

  It was shown that 2,3,4,5-tetrahydro-1,4-benzoxazepines were cleaved at the N-C(5) bond under the action of activated alkynes in methanol, forming o-(methoxyethyl)- and o-(methoxybenzyl)-phenyl(aminoethyl) ethers. The cleavage rate depended on the electronic effects of the substituents at the C-5 atom. Thiazepine ring expansion in tetrahydro-1,4-benzothiazepine was achieved for the first time via reaction with methyl propiolate to give a benzothiazonine.

  DOI：

  10.1007/s10593-013-1251-z