Dimethyl 3(S)-4-Cyclohexyl-3-(N-triphenylmethyl)amino-2-oxobutylphosphonate | 135967-46-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: Dimethyl 3(S)-4-Cyclohexyl-3-(N-triphenylmethyl)amino-2-oxobutylphosphonate
• 英文别名: (3S)-4-cyclohexyl-1-dimethoxyphosphoryl-3-(tritylamino)butan-2-one
• CAS: 135967-46-3
• 化学式: C₃₁H₃₈NO₄P
• 分子量: 519.621
• InChiKey: OOKQMICMDCTELM-LJAQVGFWSA-N

物化性质

• 沸点：
  623.1±55.0 °C(Predicted)
• 密度：
  1.135±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Dimethyl 3(S)-4-Cyclohexyl-3-(N-triphenylmethyl)amino-2-oxobutylphosphonate 在 盐酸 、 lithium hydroxide 、 水 、 sodium hydride 、 碳酸氢钠 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (S)-6-Cyclohexylmethyl-3-isopropylidene-piperidine-2,5-dione
  参考文献：
  名称：

  The stereospecific preparation of an hydroxyethylene isostere precursor via a novel piperidine-2,5-dione template

  摘要：

  Hydroxyethylene isostere precursor 2 was synthesized by stereochemical manipulation of a novel keto-lactam ''template''. The final product was prepared in very high enantiomeric purity, in 23% overall yield from L-phenylalanine.

  DOI：

  10.1016/s0040-4039(00)79750-4
• 作为产物：
  描述：

  3-环己基-L-丙氨酸甲酯 在 三乙胺 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 生成 Dimethyl 3(S)-4-Cyclohexyl-3-(N-triphenylmethyl)amino-2-oxobutylphosphonate
  参考文献：
  名称：

  The stereospecific preparation of an hydroxyethylene isostere precursor via a novel piperidine-2,5-dione template

  摘要：

  Hydroxyethylene isostere precursor 2 was synthesized by stereochemical manipulation of a novel keto-lactam ''template''. The final product was prepared in very high enantiomeric purity, in 23% overall yield from L-phenylalanine.

  DOI：

  10.1016/s0040-4039(00)79750-4

文献信息

• Renin inhibitors
  申请人：Abbott Laboratories

  公开号：US05389647A1

  公开（公告）日：1995-02-14

  A renin inhibiting compound of the formula: ##STR1## wherein X is O, NH or S and G is a mimic of the Leu-Val cleavage site of angiotensinogen; or a pharmaceutically acceptable salt, ester or prodrug thereof; with the proviso that the compound is not N-(3-(4-Morpholino)propyl)-5(S)-(2(S)-(1(S)-(4-methoxymethoxy)piperidin-1- yl)carbonyl-2-phenyl)ethoxyhexanamido)-6-cyclohexyl-4(S)-hydroxy-2(S)-isopr opylhexanamide.

  化学式为：##STR1## 其中X为O、NH或S，G是模拟血管紧张素原的Leu-Val裂解位点；或其药用盐、酯或前药；但该化合物不是N-(3-(4-吗啉基)丙基)-5(S)-(2(S)-(1(S)-(4-甲氧甲氧基)哌啶-1-基)羧基-2-苯基)乙氧基己酰胺)-6-环己基-4(S)-羟基-2(S)-异丙基己酰胺。
• The stereospecific preparation of an hydroxyethylene isostere precursor via a novel piperidine-2,5-dione template
  作者：Daniel J. Plata、M.Robert Leanna、Howard E. Morton

  DOI：10.1016/s0040-4039(00)79750-4

  日期：1991.7

  Hydroxyethylene isostere precursor 2 was synthesized by stereochemical manipulation of a novel keto-lactam ''template''. The final product was prepared in very high enantiomeric purity, in 23% overall yield from L-phenylalanine.