N-(6-氨基-1,3-二甲基-2,4-二氧代-1,2,3,4-四氢-5-嘧啶基)-4-硝基苯甲酰胺 | 249929-77-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-(6-氨基-1,3-二甲基-2,4-二氧代-1,2,3,4-四氢-5-嘧啶基)-4-硝基苯甲酰胺
• 英文名称: N-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-nitrobenzamide
• 英文别名: N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-4-nitrobenzamide
• CAS: 249929-77-9
• 化学式: C₁₃H₁₃N₅O₅
• 分子量: 319.277
• InChiKey: FHBQGPIIROINIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(6-氨基-1,3-二甲基-2,4-二氧代-1,2,3,4-四氢-5-嘧啶基)-4-硝基苯甲酰胺 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 以0.214 g的产率得到8-(p-Nitrophenyl)theophylline
  参考文献：
  名称：

  Exploration of polystyrene-supported 2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline (PS-IIDQ) as new coupling agent for the synthesis of 8-substituted xanthine derivatives

  摘要：

  Polystyrene-supported 2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline (PS-IIDQ), a polymer supported covalent coupling reagent, was successfully employed for the first time in the synthesis of 8-substituted xanthine derivatives. PS-IIDQ was observed to be more efficient than IIDQ and polymer-supported carbodiimide (PS-EDC). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.135
• 作为产物：
  描述：

  5,6-二氨基-1,3-二甲基脲嘧啶 、 对硝基苯甲酸 在 solid phase supported 2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline 作用下， 以 水 、 乙腈 为溶剂， 生成 N-(6-氨基-1,3-二甲基-2,4-二氧代-1,2,3,4-四氢-5-嘧啶基)-4-硝基苯甲酰胺
  参考文献：
  名称：

  Exploration of polystyrene-supported 2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline (PS-IIDQ) as new coupling agent for the synthesis of 8-substituted xanthine derivatives

  摘要：

  Polystyrene-supported 2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline (PS-IIDQ), a polymer supported covalent coupling reagent, was successfully employed for the first time in the synthesis of 8-substituted xanthine derivatives. PS-IIDQ was observed to be more efficient than IIDQ and polymer-supported carbodiimide (PS-EDC). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.135

文献信息

• Immunosuppressive effects of 8-substituted xanthine derivatives
  申请人：K.U. Leuven Research & Development

  公开号：US07253176B1

  公开（公告）日：2007-08-07

  The invention relates to a novel use of 8-substituted xanthine derivatives for the manufacture of a medicament for the treatment of auto-immuno disorders.

  这项发明涉及使用8-取代黄嘌呤衍生物制造治疗自身免疫性疾病药物的新方法。
• Exploration of polystyrene-supported 2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline (PS-IIDQ) as new coupling agent for the synthesis of 8-substituted xanthine derivatives
  作者：Prabal Bandyopadhyay、Manisha Sathe、Pratibha Sharma、M.P. Kaushik

  DOI：10.1016/j.tetlet.2012.04.135

  日期：2012.8

  Polystyrene-supported 2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline (PS-IIDQ), a polymer supported covalent coupling reagent, was successfully employed for the first time in the synthesis of 8-substituted xanthine derivatives. PS-IIDQ was observed to be more efficient than IIDQ and polymer-supported carbodiimide (PS-EDC). (C) 2012 Elsevier Ltd. All rights reserved.