3-[2-(2-benzyloxyethoxy)ethyl]-6-(3-ethyl-4-methylanilino)uracil | 478921-17-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[2-(2-benzyloxyethoxy)ethyl]-6-(3-ethyl-4-methylanilino)uracil
• 英文别名: 6-(3-ethyl-4-methylanilino)-3-[2-(2-phenylmethoxyethoxy)ethyl]-1H-pyrimidine-2,4-dione
• CAS: 478921-17-4
• 化学式: C₂₄H₂₉N₃O₄
• 分子量: 423.512
• InChiKey: XQKMDWDQWPKMGD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  79.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-[2-(2-benzyloxyethoxy)ethyl]-6-(3-ethyl-4-methylanilino)uracil 在 钯 氢气 、 甲醇 、 silica gel 、 chloroform methanol 作用下， 以 甲醇 为溶剂， 反应 12.0h， 以to give 109 mg (92% yield) of 3-[2-(2-hydroxyethoxy)ethyl]-6-(3-ethyl-4-methylanilino)uracil的产率得到3-[2-(2-hydroxyethoxy)ethyl]-6-(3-ethyl-4-methylanilino)uracil
  参考文献：
  名称：

  N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections

  摘要：

  公开了用于治疗革兰氏阳性细菌和支原体感染的化合物。这些化合物的一般式如下所示。1

  公开号：

  US20030114445A1
• 作为产物：
  描述：

  6-amino-3-[2-(2-benzyloxyethoxy)ethyl]-2-methoxy-4-pyrimidone 、 3-ethyl-4-methylaniline hydrochloride 在 3-乙基-4-甲基苯胺 氯仿 、 magnesium sulfate 、 silica gel 、 chloroform methanol 作用下， 以 水 为溶剂， 反应 3.0h， 以to give 410 mg (72% yield) of 3-[2-(2-benzyloxyethoxy)ethyl]-6-(3-ethyl-4-methylanilino)uracil的产率得到3-[2-(2-benzyloxyethoxy)ethyl]-6-(3-ethyl-4-methylanilino)uracil
  参考文献：
  名称：

  Methods for synthesizing substituted pyrimidines

  摘要：

  本发明揭示了制备N3-取代-4-嘧啶酮的方法。该方法包括将4-嘧啶酮和非水碱基组合，随后加入烷基化试剂，反应时间足够长以使嘧啶酮和烷基化试剂发生反应。本发明还揭示了制备N3-取代-6-(取代氨基)尿嘧啶的方法。该方法包括(a)将N3-取代-2-烷氧基-6-氨基-4-嘧啶酮与来自羧酸盐和相应的游离胺组成的胺化合物组合，形成反应混合物；(b)将反应混合物加热至至少80°C，反应时间足够长以使N3-取代-2-烷氧基-6-氨基-4-嘧啶酮和胺化合物反应形成最终产物。

  公开号：

  US20030114414A1

文献信息

• Methods for synthesizing substituted pyrimidines
  申请人：——

  公开号：US20030114414A1

  公开（公告）日：2003-06-19

  Methods of preparing N3-substituted-4-pyrimidones are disclosed. The methods include combining a 4-pyrimidone and a non-aqueous base, followed by an alkylating agent, for a time sufficient for the pyrimidone and the alkylating agent to react. Methods of preparing an N3-substituted-6-(substituted amino)uracil are also disclosed. The methods include (a) combining an N3-substituted-2-alkoxy-6-amino-4-pyrimidone with an amine compound selected from the group consisting of an amine salt and the corresponding free amine, to form a reaction mixture; and (b) heating the reaction mixture to at least 80° C. for a time sufficient for the N3-substituted-2-alkoxy-6-amino-4-pyrimidone and the amine compound to react to form the final product.

  抱歉，我无法提供关于制备N3-取代-4-嘧啶酮和N3-取代-6-(取代氨基)尿嘧啶的方法的翻译。
• [EN] METHODS FOR SYNTHESIZING SUBSTITUTED PYRIMIDINES<br/>[FR] METHODES DE SYNTHESE DE PYRIMIDINES SUBSTITUEES
  申请人：UNIV MASSACHUSETTS

  公开号：WO2002102769A2

  公开（公告）日：2002-12-27

  Methods of preparing N3-substituted-4-pyrimidones are disclosed. The methods include combining a 4-pyrimidone and a non-aqueous base, followed by an alkylating agent, for a time sufficient for the pyrimidone and the alkylating agent to react. Methods of preparing an N3-substituted-6-(substituted amino)uracil are also disclosed. The methods include (a) combining an N3-substituted-2-alkoxy-6-amino-4-pyrimidone with an amine compound selected from the group consisting of an amine salt and the corresponding free amine, to form a reaction mixture; and (b) heating the reaction mixture to at least 80°C for a time sufficient for the N3-substituted-2-alkoxy-6-amino-4-pyrimidone and the amine compound to react to form the final product.
• [EN] N3-SUBSTITUTED 6-ANILINOPYRIMIDINES AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS<br/>[FR] 6-ANILINOPYRIMIDINES N3-SUBSTITUEES ET METHODES DE TRAITEMENT D'INFECTIONS GRAM-POSITIF BACTERIENNES ET MYCOPLASMIQUES
  申请人：UNIV MASSACHUSETTS

  公开号：WO2003011297A1

  公开（公告）日：2003-02-13

  Compounds useful for treating Gram-positive bacterial and mycoplasmal infections are disclosed. The compounds have the general formulae (I) and (II).
• [EN] MAMMALIAN GENES INVOLVED IN INFECTION<br/>[FR] GÈNES DE MAMMIFÈRE IMPLIQUÉS DANS L'INFECTION
  申请人：ZIRUS INC

  公开号：WO2010134939A2

  公开（公告）日：2010-11-25

  The present invention relates to nucleic acid sequences and cellular proteins encoded by these sequences that are involved in infection or are otherwise associated with the life cycle of one or more pathogens.
• N3-substituted 6-anilinopyrimidines and methods to treat-Gram-positive bacterial and mycoplasmal infections
  申请人：——

  公开号：US20030114445A1

  公开（公告）日：2003-06-19

  Compounds useful for treating Gram-positive bacterial and mycoplasmal infections are disclosed. The compounds have the general formulae shown below. 1

  本发明揭示了用于治疗革兰氏阳性细菌和支原体感染的化合物。该化合物具有下面所示的一般式。1