(2S,6S,9S,13S)-6,13-dimethoxy-2,6,9,13-tetramethyl-2,9-dicarbomethoxy-1,4,8,11-tetraazacyclotetradecane-5,12-dione | 190393-78-3

• 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: (2S,6S,9S,13S)-6,13-dimethoxy-2,6,9,13-tetramethyl-2,9-dicarbomethoxy-1,4,8,11-tetraazacyclotetradecane-5,12-dione
• 英文别名: dimethyl (2S,6S,9S,13S)-6,13-dimethoxy-2,6,9,13-tetramethyl-7,14-dioxo-1,4,8,11-tetrazacyclotetradecane-2,9-dicarboxylate
• CAS: 190393-78-3
• 化学式: C₂₀H₃₆N₄O₈
• 分子量: 460.528
• InChiKey: ZECFUZQFCAYQDG-MUGJNUQGSA-N

物化性质

• 沸点：
  625.7±55.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  153
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,3,5,6-tetrakis(bromomethyl)pyrazine 、 (2S,6S,9S,13S)-6,13-dimethoxy-2,6,9,13-tetramethyl-2,9-dicarbomethoxy-1,4,8,11-tetraazacyclotetradecane-5,12-dione 在 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 144.0h， 以10%的产率得到
  参考文献：
  名称：

  Synthesis and Structural Studies of 1,8-Pyridine-Capped 5,12-Dioxocyclams

  摘要：

  5,12-Dioxocyclams and bis-dioxocyclams were capped across the 1,8-secondary amino groups with 2,6-bis(bromomethyl)pyridine to give pyridine-capped mono- and bis-dioxocyclams. The copper(II) complex of capped monocyclam 5b was prepared and characterized by X-ray crystallography. Treatment of dioxocyclams with 2,3,5,6-tetrakis(bromomethyl)pyrazine produced bis-cyclams connected through the ir secondary amino groups through the 2,3- and 5,6-positions of the pyrazine.

  DOI：

  10.1021/ja994352l
• 作为产物：
  描述：

  (4E,11E)-(2S,6S,9S,13S)-6,13-Dimethoxy-2,6,9,13-tetramethyl-7,14-dioxo-1,4,8,11-tetraaza-cyclotetradeca-4,11-diene-2,9-dicarboxylic acid dimethyl ester 在 盐酸 、 sodium cyanoborohydride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 (2S,6S,9S,13S)-6,13-dimethoxy-2,6,9,13-tetramethyl-2,9-dicarbomethoxy-1,4,8,11-tetraazacyclotetradecane-5,12-dione
  参考文献：
  名称：

  Synthesis of Optically Active Imidazolines, Azapenams, Dioxocyclams, and Bis-dioxocyclams

  摘要：

  Optically active 4-methyl-4-carbomethoxy-Delta(2)-imidazoline was efficiently synthesized on a multigram scale. Photolysis with (methoxymethylcarbene)chromium complex produced the optically active azapenam in good yield and with high stereoselectivity. Acid-catalyzed dimerization followed by reduction produced the corresponding optically active dioxocyclam in good yield. Using a bis-carbene complex, an optically active bis-dioxocyclam was produced in excellent yield.

  DOI：

  10.1021/jo962343e