methyl 3-(4-(phenylmethoxy) phenyl)-alpha-[(dimethylamino)methyl]-propanoate | 196395-00-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 3-(4-(phenylmethoxy) phenyl)-alpha-[(dimethylamino)methyl]-propanoate
• 英文别名: Methyl 2-[(dimethylamino)methyl]-3-(4-phenylmethoxyphenyl)propanoate
• CAS: 196395-00-3
• 化学式: C₂₀H₂₅NO₃
• 分子量: 327.423
• InChiKey: LAQPUOUCKOSROZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 3-(4-(phenylmethoxy) phenyl)-alpha-[(dimethylamino)methyl]-propanoate 在 sodium hydroxide 、 TEA 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 二氯甲烷 、 异丙醇 为溶剂， 反应 4.5h， 生成 (S)-2-[2-Acetylsulfanylmethyl-3-(4-benzyloxy-phenyl)-propionylamino]-3-(1H-indol-3-yl)-propionic acid ethyl ester
  参考文献：
  名称：

  Thiol inhibitors of endothelin-converting enzyme

  摘要：

  Synthesis and structure activity relationships of a series of thiol inhibitors of the endothelin-converting enzyme (ECE) are presented. Optimisation of the stereochemistry as well as of the P'(1) and P'(2) residues led to inhibitors with similar potency to that of phosphoramidon. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00420-9
• 作为产物：
  描述：

  3-(二甲氨基)丙酸甲酯 、 4-苄氧基溴苄 在 N,N-二甲基丙烯基脲 、 lithium diisopropyl amide 作用下， 生成 methyl 3-(4-(phenylmethoxy) phenyl)-alpha-[(dimethylamino)methyl]-propanoate
  参考文献：
  名称：

  Thiol inhibitors of endothelin-converting enzyme

  摘要：

  Synthesis and structure activity relationships of a series of thiol inhibitors of the endothelin-converting enzyme (ECE) are presented. Optimisation of the stereochemistry as well as of the P'(1) and P'(2) residues led to inhibitors with similar potency to that of phosphoramidon. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00420-9

文献信息

• Sulphur derivatives comprising an amide bond, method for preparing same,
  申请人：Hoechst Marion Roussel

  公开号：US06136842A1

  公开（公告）日：2000-10-24

  Products of formula (I), wherein n is 0 or 1, R.sub.1 is particularly phenyl or biphenyl optionally substituted particularly by benzyloxy, dioxol or halogen, R.sub.2 is particularly hydrogen or methyl substituted particularly by indolyl, phenylthio or phenyl, which may in turn be substituted, and A is carboxy, tetrazolyl or substituted alkyl as well as all salts and isomers thereof, are disclosed. ##STR1##

  公式(I)的产物，其中n为0或1，R.sub.1特别是苯基或联苯基，可选择地被苄氧基、二噁唑或卤素取代，R.sub.2特别是氢或甲基，可选择地被吲哚基、苯硫基或苯基取代，而这些基团本身也可以被取代，A为羧基、四唑基或取代的烷基以及其所有盐和异构体。
• US6136842A
  申请人：——

  公开号：US6136842A

  公开（公告）日：2000-10-24