1-N-(3-nitro-pyridin-4-yl)propane-1,3-diamine | 753483-20-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-N-(3-nitro-pyridin-4-yl)propane-1,3-diamine
• 英文别名: N'-(3-nitropyridin-4-yl)propane-1,3-diamine
• CAS: 753483-20-4
• 化学式: C₈H₁₂N₄O₂
• 分子量: 196.209
• InChiKey: XTETYRBBJYWWAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  96.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-N-(3-nitro-pyridin-4-yl)propane-1,3-diamine 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 17.5h， 生成 [3-(3-amino-pyridin-4-ylamino)propyl]carbamic acid tert-butyl ester
  参考文献：
  名称：

  New broad-spectrum parenteral cephalosporins exhibiting potent activity against both methicillin-resistant Staphylococcus aureus (MRSA) and Pseudomonas aeruginosa. Part 2: Synthesis and structure–activity relationships in the S-3578 series

  摘要：

  Among the prepared novel cephalosporin derivatives related to S-3578, a series of 7beta-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2(Z) -ethoxyiminoacetamido]-3-[1-(aminoalkyl)-1H-pyrazoIo[4,3-b]pyridinium-4-yl]methyl-3-cephem-4-carboxylate showed potent activity against both MRSA and Pseudomonas aeruginosa, and displayed good water solubility. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.022
• 作为产物：
  描述：

  1,3-丙二胺 、 4-乙氧基-3-硝基吡啶 以 乙醇 为溶剂， 反应 2.0h， 以94%的产率得到1-N-(3-nitro-pyridin-4-yl)propane-1,3-diamine
  参考文献：
  名称：

  New broad-spectrum parenteral cephalosporins exhibiting potent activity against both methicillin-resistant Staphylococcus aureus (MRSA) and Pseudomonas aeruginosa. Part 2: Synthesis and structure–activity relationships in the S-3578 series

  摘要：

  Among the prepared novel cephalosporin derivatives related to S-3578, a series of 7beta-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2(Z) -ethoxyiminoacetamido]-3-[1-(aminoalkyl)-1H-pyrazoIo[4,3-b]pyridinium-4-yl]methyl-3-cephem-4-carboxylate showed potent activity against both MRSA and Pseudomonas aeruginosa, and displayed good water solubility. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.05.022

文献信息

• New broad-spectrum parenteral cephalosporins exhibiting potent activity against both methicillin-resistant Staphylococcus aureus (MRSA) and Pseudomonas aeruginosa. Part 2: Synthesis and structure–activity relationships in the S-3578 series
  作者：Hidenori Yoshizawa、Tadatoshi Kubota、Hikaru Itani、Hiroyuki Ishitobi、Hideaki Miwa、Yasuhiro Nishitani

  DOI：10.1016/j.bmc.2004.05.022

  日期：2004.8.1

  Among the prepared novel cephalosporin derivatives related to S-3578, a series of 7beta-[2-(5-amino-1,2,4-thiadiazol-3-yl)-2(Z) -ethoxyiminoacetamido]-3-[1-(aminoalkyl)-1H-pyrazoIo[4,3-b]pyridinium-4-yl]methyl-3-cephem-4-carboxylate showed potent activity against both MRSA and Pseudomonas aeruginosa, and displayed good water solubility. (C) 2004 Elsevier Ltd. All rights reserved.