methyl 3-cyclohexyl-2-[hydroxy(mesitylacetyl)amino]-2-methylpropanoate | 596806-80-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 3-cyclohexyl-2-[hydroxy(mesitylacetyl)amino]-2-methylpropanoate
• 英文别名: Methyl 3-cyclohexyl-2-[hydroxy-[2-(2,4,6-trimethylphenyl)acetyl]amino]-2-methylpropanoate
• CAS: 596806-80-3
• 化学式: C₂₂H₃₃NO₄
• 分子量: 375.508
• InChiKey: BNWCPTPFEAMXFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-cyclohexyl-2-[hydroxy(mesitylacetyl)amino]-2-methylpropanoate 在 potassium tert-butylate 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 5-Cyclohexylmethyl-4-hydroxy-1-methoxymethoxy-5-methyl-3-(2,4,6-trimethyl-phenyl)-1,5-dihydro-pyrrol-2-one
  参考文献：
  名称：

  Synthesis and insecticidal activity of novel N-oxydihydropyrroles: 4-hydroxy-3-mesityl-1-methoxymethoxy derivatives with various substituents at the 5-position

  摘要：

  This paper reports the synthesis and insecticidal activity of a series of novel 4-hydroxy-3-mesityl-1-methoxymethoxy-1,5-dihydro-2H-pyrrol-2-one derivatives, in which the substituents at the 5-position were varied with a number of alkyl and spirocycloalkyl groups. Investigation of the structure-activity relationships revealed that small alkyl and spirocyclohexyl groups had a favorable effect on the insecticidal activity of these agents against Myzus persicae. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00474-1
• 作为产物：
  描述：

  3-Cyclohexyl-2-{[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-amino}-2-methyl-propionic acid methyl ester 在 盐酸羟胺 、 碳酸氢钠 、 sodium carbonate 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 水 、 乙酸乙酯 、 1,2-二氯乙烷 为溶剂， 反应 12.0h， 生成 methyl 3-cyclohexyl-2-[hydroxy(mesitylacetyl)amino]-2-methylpropanoate
  参考文献：
  名称：

  Synthesis and insecticidal activity of novel N-oxydihydropyrroles: 4-hydroxy-3-mesityl-1-methoxymethoxy derivatives with various substituents at the 5-position

  摘要：

  This paper reports the synthesis and insecticidal activity of a series of novel 4-hydroxy-3-mesityl-1-methoxymethoxy-1,5-dihydro-2H-pyrrol-2-one derivatives, in which the substituents at the 5-position were varied with a number of alkyl and spirocycloalkyl groups. Investigation of the structure-activity relationships revealed that small alkyl and spirocyclohexyl groups had a favorable effect on the insecticidal activity of these agents against Myzus persicae. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00474-1