N-methoxy-N,2-dimethylpentanamide | 1341351-82-3

• 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: N-methoxy-N,2-dimethylpentanamide
• CAS: 1341351-82-3
• 化学式: C₈H₁₇NO₂
• mdl: MFCD18839883
• 分子量: 159.228
• InChiKey: LTUPPHYMXLFYQI-UHFFFAOYSA-N

物化性质

• 沸点：
  184.3±23.0 °C(Predicted)
• 密度：
  0.927±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-methoxy-N,2-dimethylpentanamide 、 乙烯基溴化镁 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 4-methyl-1-hepten-3-one
  参考文献：
  名称：

  Synthesis and evaluation of novel pyrazolidinone analogs of PGE2 as EP2 and EP4 receptors agonists

  摘要：

  Replacement of the hydroxy cyclopentanone ring in PGE(2) with chemically more stable heterocyclic rings and substitution of the unsaturated alpha-alkenyl chain with a metabolically more stable phenethyl chain led to the development of potent and selective analogs of PGE(2). Compound 10f showed the highest potency and selectivity for EP4 the receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.074
• 作为产物：
  描述：

  2-甲基戊酸 、 N-甲基-N-甲氧基胺盐酸盐 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 N-methoxy-N,2-dimethylpentanamide
  参考文献：
  名称：

  Synthesis and evaluation of novel pyrazolidinone analogs of PGE2 as EP2 and EP4 receptors agonists

  摘要：

  Replacement of the hydroxy cyclopentanone ring in PGE(2) with chemically more stable heterocyclic rings and substitution of the unsaturated alpha-alkenyl chain with a metabolically more stable phenethyl chain led to the development of potent and selective analogs of PGE(2). Compound 10f showed the highest potency and selectivity for EP4 the receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.074

文献信息

• INHIBITORS OF SERINE PROTEASES
  申请人：Lyons Steven

  公开号：US20110171175A1

  公开（公告）日：2011-07-14

  This invention relates to compounds of formula I: or a pharmaceutically acceptable salt or mixtures thereof wherein C* represents a diastereomeric carbon comprising a mixture of R and S isomers wherein the R isomer is greater than 50% of the mixture.
• Inhibitors of Serine Proteases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130177531A1

  公开（公告）日：2013-07-11

  This invention relates to compounds of formula I: or a pharmaceutically acceptable salt or mixtures thereof wherein C* represents a diastereomeric carbon comprising a mixture of R and S isomers wherein the R isomer is greater than 50% of the mixture.