4,6-二甲基嘧啶-5-羧酸甲酯 | 832090-44-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4,6-二甲基嘧啶-5-羧酸甲酯
• 中文别名: 4,6-二甲基-嘧啶-5-羧酸甲酯
• 英文名称: methyl 4,6-dimethylpyrimidine-5-carboxylate
• CAS: 832090-44-5
• 化学式: C₈H₁₀N₂O₂
• mdl: MFCD11046670
• 分子量: 166.18
• InChiKey: XBSPXEYSNDFEIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  4,6-二甲基嘧啶-5-羧酸甲酯 在 sodium hydroxide 、 盐酸 作用下， 以 水 为溶剂， 反应 2.5h， 生成 4,6-二甲基嘧啶-5-甲酸
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS
  [FR] PROCESSUS DE PREPARATION ET DE PURIFICATION D'ESTERS D'ACIDE 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIQUE A PARTIR D'ESTERS D'ACIDE 3-KETOALKANOIQUE

  摘要：

  公开号：

  WO2005007608A3
• 作为产物：
  描述：

  2-acetyl-3-methoxy-but-2-enoic acid methyl ester 、 醋酸甲脒 在 potassium tert-butylate 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 丙酮 为溶剂， 反应 1.5h， 生成 4,6-二甲基嘧啶-5-羧酸甲酯
  参考文献：
  名称：

  [EN] PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS
  [FR] PROCESSUS DE PREPARATION ET DE PURIFICATION D'ESTERS D'ACIDE 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIQUE A PARTIR D'ESTERS D'ACIDE 3-KETOALKANOIQUE

  摘要：

  公开号：

  WO2005007608A3

文献信息

• Piperazine derivatives
  申请人：Liu Julie F.

  公开号：US20090270336A1

  公开（公告）日：2009-10-29

  This invention relates to novel compounds that are piperazine derivatives, and pharmaceutically acceptable salts thereof. More specifically, the invention relates to novel piperazine compounds that are derivatives of the chemokine CCR5 receptor antagonist, vicriviroc. This invention also provides pyrogen-free compositions comprising one or more compounds of the invention and a carrier and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are treated by administering chemokine CCR5 receptor antagonists, such as vicriviroc. The invention also relates to the use of one or more of the disclosed compounds as reagents in analytical studies involving vicriviroc.

  该发明涉及一种新型化合物，即哌嗪衍生物，以及其药用盐。更具体地说，该发明涉及一种新型哌嗪化合物，即趋化因子CCR5受体拮抗剂维克利韦的衍生物。该发明还提供了不含致热原的组合物，包括该发明的一种或多种化合物和载体，以及使用所披露的化合物和组合物治疗通过给予趋化因子CCR5受体拮抗剂，如维克利韦，治疗的疾病和病况的方法。该发明还涉及使用所披露的一种或多种化合物作为试剂在涉及维克利韦的分析研究中。
• Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters
  申请人：Draper W. Richard

  公开号：US20050027140A1

  公开（公告）日：2005-02-03

  In its several embodiments, this invention discloses a novel process to prepare the compounds of Formula 3: wherein R 1 is lower alkyl, and R 2 and R 3 can be the same or different, each being independently selected from the group consisting of alkyl, aryl and aralkyl; said process being carried out in a suitable solvent with at least one tert-amine carboxylate salt catalyst. The compounds of formula 3 are chemical intermediates useful for the synthesis of various heterocyclic compounds. These heterocyclic compounds are in turn useful precursors for diverse pharmaceutical, herbicidal and insecticidal agents. In particular, these intermediates are useful precursors to a variety of CCR5 inhibitors.

  在其多个实施例中，本发明揭示了一种制备式3化合物的新型过程：其中R1为低碳基，R2和R3可以相同或不同，每个独立地从由烷基，芳基和芳基烷基组成的群体中选择；该过程在适当的溶剂中以至少一种三甲胺羧酸盐催化剂进行。式3化合物是有用的化学中间体，可用于合成各种杂环化合物。这些杂环化合物反过来是各种药物，除草剂和杀虫剂的有用前体。特别地，这些中间体是各种CCR5抑制剂的有用前体。
• METHOD FOR PRODUCING PYRIMIDINE COMPOUND
  申请人：Takahashi Daisuke

  公开号：US20080009622A1

  公开（公告）日：2008-01-10

  Compound (II) and compound (III) are reacted to give compound (IVa) and/or compound (IVb); which are/is then reacted with compound (V) to give compound (I). wherein X is a methylthio group and the like, R 1 and R 2 are each a lower alkyl group optionally having substituent(s), an aryl group optionally having substituent(s) and the like, R 3 is a lower alkyl group, R 4 is a hydrogen atom, a lower alkyl group optionally having substituent(s) and the like, and Q is a carboxylate group and the like.

  化合物（II）和化合物（III）反应生成化合物（IVa）和/或化合物（IVb）; 然后将其与化合物（V）反应生成化合物（I）。其中X是甲基硫基等基团，R1和R2分别是较低的烷基基团，可选地具有取代基，芳基基团，可选地具有取代基等，R3是较低的烷基基团，R4是氢原子，较低的烷基基团，可选地具有取代基等，Q是羧酸盐基团等。
• PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS
  申请人：SCHERING CORPORATION

  公开号：EP1644313A2

  公开（公告）日：2006-04-12
• Piperazine Derivatives
  申请人：Liu Julie F.

  公开号：US20100120786A1

  公开（公告）日：2010-05-13

  This invention relates to novel compounds that are piperazine derivatives, and pharmaceutically acceptable salts thereof. More specifically, the invention relates to novel piperazine compounds that are derivatives of the chemokine CCR5 receptor antagonist, vicriviroc. This invention also provides pyrogen-free compositions comprising one or more compounds of the invention and a carrier and the use of the disclosed compounds and compositions in methods of treating diseases and conditions that are treated by administering chemokine CCR5 receptor antagonists, such as vicriviroc. The invention also relates to the use of one or more of the disclosed compounds as reagents in analytical studies involving vicriviroc.