[3-(tert-butoxycarbonylmethylamino)propyl]-[2-(dimethylaminomethyleneamino)pyridin-3-yl]carbamic acid tert-butyl ester | 768399-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [3-(tert-butoxycarbonylmethylamino)propyl]-[2-(dimethylaminomethyleneamino)pyridin-3-yl]carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[2-[(E)-dimethylaminomethylideneamino]pyridin-3-yl]-N-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate
• CAS: 768399-57-1
• 化学式: C₂₂H₃₇N₅O₄
• 分子量: 435.567
• InChiKey: DTSZXLBZLKJGLS-LFVJCYFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  87.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [3-(tert-butoxycarbonylmethylamino)propyl]-[2-(dimethylaminomethyleneamino)pyridin-3-yl]carbamic acid tert-butyl ester 在 硫酸 作用下， 以 溶剂黄146 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 7β-[2-(5-amino-1,2,4-thidiaazol-3-yl)-2(Z)-fluoromethoxyiminoacetamido]-3-[1-(3-methylaminopropyl)-1H-imidazo[4,5-b]pyridinium-4-yl]methyl-3-cephem-4-carboxylate sulfate
  参考文献：
  名称：

  A New Method for Regioselective Synthesis of a Broad-Spectrum Parenteral S-3578-Related Cephalosporin Bearing an Imidazo[4,5-b]pyridinium Derivative at C-3’

  摘要：

  A broad-spectrum S-3578-related cephalosporin, 7beta-[2-(5-amino- 1,2,4-thiadiazol-3 -yl)-2(Z)-fluoromethoxyiminoacetamido]-3-[1-(3-methylamino-propyl)-1H-imidazo[4,5-b]pyridinium-4-yl]methyl-3-cephem-4-carboxylate sulfate was regioselectively synthesized in a good yield using diaminopyridine derivative bearing a dimethylformarmidine group.

  DOI：

  10.3987/com-04-10097
• 作为产物：
  描述：

  甲基(3-氧代丙基)氨基甲酸叔丁酯 在 吡啶硼烷 作用下， 以 四氢呋喃 、 二氯甲烷 、 溶剂黄146 为溶剂， 反应 8.5h， 生成 [3-(tert-butoxycarbonylmethylamino)propyl]-[2-(dimethylaminomethyleneamino)pyridin-3-yl]carbamic acid tert-butyl ester
  参考文献：
  名称：

  A New Method for Regioselective Synthesis of a Broad-Spectrum Parenteral S-3578-Related Cephalosporin Bearing an Imidazo[4,5-b]pyridinium Derivative at C-3’

  摘要：

  A broad-spectrum S-3578-related cephalosporin, 7beta-[2-(5-amino- 1,2,4-thiadiazol-3 -yl)-2(Z)-fluoromethoxyiminoacetamido]-3-[1-(3-methylamino-propyl)-1H-imidazo[4,5-b]pyridinium-4-yl]methyl-3-cephem-4-carboxylate sulfate was regioselectively synthesized in a good yield using diaminopyridine derivative bearing a dimethylformarmidine group.

  DOI：

  10.3987/com-04-10097

文献信息

• A New Method for Regioselective Synthesis of a Broad-Spectrum Parenteral S-3578-Related Cephalosporin Bearing an Imidazo[4,5-b]pyridinium Derivative at C-3’
  作者：Hidenori Yoshizawa、Katsuki Yokoo、Takashi Nomura、Takafumi Ohara、Koji Ishikura、Yasuhiro Nishitani

  DOI：10.3987/com-04-10097

  日期：——

  A broad-spectrum S-3578-related cephalosporin, 7beta-[2-(5-amino- 1,2,4-thiadiazol-3 -yl)-2(Z)-fluoromethoxyiminoacetamido]-3-[1-(3-methylamino-propyl)-1H-imidazo[4,5-b]pyridinium-4-yl]methyl-3-cephem-4-carboxylate sulfate was regioselectively synthesized in a good yield using diaminopyridine derivative bearing a dimethylformarmidine group.