N.N'-Dicyclohexyl-O-(2-trimethylsilyl-aethyl)-isoharnstoff | 65057-62-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 甲亚胺酸及其衍生物
• 英文名称: N.N'-Dicyclohexyl-O-(2-trimethylsilyl-aethyl)-isoharnstoff
• 英文别名: 2-trimethylsilylethyl N,N'-dicyclohexylcarbamimidate
• CAS: 65057-62-7
• 化学式: C₁₈H₃₆N₂OSi
• 分子量: 324.582
• InChiKey: LKIJLCVIHKRAIA-UHFFFAOYSA-N

物化性质

• 沸点：
  451.6±24.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  33.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N.N'-Dicyclohexyl-O-(2-trimethylsilyl-aethyl)-isoharnstoff 在 盐酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 24.0h， 生成 (2R)-2,3-dihydroxypropanoic acid β-trimethylsilylethyl ester
  参考文献：
  名称：

  Solution-Phase and Solid-Phase Syntheses of Enzyme Inhibitor RK-682 and Antibiotic Agglomerins

  摘要：

  The enzyme inhibitor RK-682 (5R)-(+)-1 was prepared in solution and on a solid support from (2R)-glycerates in five steps and ca. 40% overall yield. Key steps were a ring-closing tandem addition-Wittig alkenation reaction of the respective protected or immobilized glycerates with the ylide Ph-3-PCCO and the 3-acylation of the tetronic acids thus obtained with palmitic acid. A similar route extended by a mesylation-elimination sequence led to antibiotic agglomerins A-C 2 featuring 3-acyl-5-methylidenetetronic acid structures.

  DOI：

  10.1021/jo050797i

文献信息

• 2-Pyridyl-2-thiazoline-4-carboxylic acid derivatives
  申请人：Ciba-Geigy Corporation

  公开号：US04406905A1

  公开（公告）日：1983-09-27

  The invention relates especially to 2-(3'-hydroxypyrid-2'-yl)-2-thiazoline-4-carboxylic acid derivatives of the formula (I) and salts and also certain metal complexes of these compounds, processes for their manufacture, pharmaceutical agents containing such compounds and the use of these compounds. ##STR1## In the formula, R.sup.1 represents free, etherified or esterified hydroxy, R.sup.2 represents hydrogen or an aliphatic, carbocyclic or carbocyclic-aliphatic radical having 1-12 carbon atoms, and R.sup.3 represents hydrogen or an unsubstituted aliphatic radical having 1-7 carbon atoms. The compounds of the formula (I) can be used, for example, for the abstraction of heavy metals from the organism of warm-blooded animals and/or they have an antibiotic action.

  本发明特别涉及公式（I）的2-（3'-羟基吡啶-2'-基）-2-噻唑啉-4-羧酸衍生物及其盐，以及这些化合物的某些金属配合物，制造这些化合物的过程，含有这些化合物的药物制剂和这些化合物的用途。 在公式中，R1代表自由、醚化或酯化的羟基，R2代表氢或具有1-12个碳原子的脂肪、环烷或环烷基脂肪基，R3代表氢或具有1-7个碳原子的未取代脂肪基。公式（I）的化合物可以用于从温血动物的有机体中提取重金属，或具有抗生素作用。
• Solution-Phase and Solid-Phase Syntheses of Enzyme Inhibitor RK-682 and Antibiotic Agglomerins
  作者：Rainer Schobert、Carsten Jagusch

  DOI：10.1021/jo050797i

  日期：2005.7.1

  The enzyme inhibitor RK-682 (5R)-(+)-1 was prepared in solution and on a solid support from (2R)-glycerates in five steps and ca. 40% overall yield. Key steps were a ring-closing tandem addition-Wittig alkenation reaction of the respective protected or immobilized glycerates with the ylide Ph-3-PCCO and the 3-acylation of the tetronic acids thus obtained with palmitic acid. A similar route extended by a mesylation-elimination sequence led to antibiotic agglomerins A-C 2 featuring 3-acyl-5-methylidenetetronic acid structures.