二乙基[[(3-氯-4-氟苯基)氨基]亚甲基]丙二酸酯 | 964-04-5

• 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: 二乙基[[(3-氯-4-氟苯基)氨基]亚甲基]丙二酸酯
• 英文名称: 6-amino-5-benzoylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
• 英文别名: 1,3-Dimethyl-4-amino-5-benzamido-uracil；4-Amino-5-benzamino-1,3-dimethyl-uracil；n-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzamide；N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)benzamide
• CAS: 964-04-5
• 化学式: C₁₃H₁₄N₄O₃
• 分子量: 274.279
• InChiKey: PLDMPTZUUCFKNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  20
• 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：
  95.7
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  二乙基[[(3-氯-4-氟苯基)氨基]亚甲基]丙二酸酯 在 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 以0.2 g的产率得到8-苯基茶碱
  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 、 苯甲酸 在 solid phase supported 2-isobutoxy-1-isobutoxycarbonyl-1,2-dihydroquinoline 作用下， 以 水 、 乙腈 为溶剂， 反应 1.0h， 以83%的产率得到二乙基[[(3-氯-4-氟苯基)氨基]亚甲基]丙二酸酯
  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

• MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE
  申请人：CSIR

  公开号：EP2008210A1

  公开（公告）日：2008-12-31
• [EN] MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE<br/>[FR] MODULATION DE L'ACTIVITE PHOSPHORYL TRANSFERASE DE LA GLUTAMINE SYNTHETASE
  申请人：CSIR

  公开号：WO2007105023A1

  公开（公告）日：2007-09-20

  [EN] Methods of screening and designing compounds as inhibitors of glutamine synthetase, including adenylylated glutamine synthetase, are provided herein. Compounds and compositions useful for the treatment, prevention, and/or amelioration of bacterial infections, including Mycobacterium tuberculosis, are also provided.
  [FR] La présente invention concerne des procédés de criblage et de conception de composés en tant qu'inhibiteurs de la glutamine synthétase, y compris de la glutamine synthétase adénylylée. L'invention concerne de plus des composés et des compositions utiles pour le traitement, la prévention et/ou l'amélioration d'infections bactériennes, y compris par Mycobacterium tuberculosis.
• 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.