N-(3-formylpentan-3-yl)-3-methoxy-2-methylbenzamide | 551964-09-1

• 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-(3-formylpentan-3-yl)-3-methoxy-2-methylbenzamide
• CAS: 551964-09-1
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: MJPLRIXZQVCCFQ-UHFFFAOYSA-N

物化性质

• 沸点：
  374.1±42.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  19.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  55.4
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(3-formylpentan-3-yl)-3-methoxy-2-methylbenzamide 在 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 3-Methoxy-2-methyl-N-[3-(3-methylbenzoyl)pentan-3-yl]benzamide
  参考文献：
  名称：

  Synthesis and SAR of α-Acylaminoketone ligands for control of gene expression

  摘要：

  A lead discovery library and a follow-up focused library of alpha-acylaminoketones were designed based on known dibenzoylhydrazine ecdysone agonists, including GS(TM)-E. The compounds were assayed in mammalian cells expressing the ecdysone receptor from Bombyx mori for their ability to cause expression of a reporter gene downstream of an ecdysone response element. The most potent alpha-acylaminoketones were comparable to GS(TM)-E in this assay. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00980-0
• 作为产物：
  描述：

  2-氨基-2-乙基丁酸 在 吡啶 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 生成 N-(3-formylpentan-3-yl)-3-methoxy-2-methylbenzamide
  参考文献：
  名称：

  Optimization of α-acylaminoketone ecdysone agonists for control of gene expression

  摘要：

  Fifteen new alpha-acylaminoketones were prepared by four different routes in an initial effort to optimize the potency of these compounds as ecdysone agonists. The compounds were assayed in mammalian cells expressing the ecdysone receptors from Bombyx mori (BmEcR) and Choristoneura fumiferana (CfEcR) for their ability to cause expression of a reporter gene downstream of an ecdysone response element. A new alpha-acylaminoketone was identified which had activity equal to that of the standard diben-zoylhydrazine ecdysone agonist GS(TM)-E in the assay based on CfEcR. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00315-9