methyl 4-ethyl-6-methyl-2-phenylpyrimidine-5-carboxylate | 832090-50-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: methyl 4-ethyl-6-methyl-2-phenylpyrimidine-5-carboxylate
• CAS: 832090-50-3
• 化学式: C₁₅H₁₆N₂O₂
• 分子量: 256.304
• InChiKey: BHIGPSPOKKJLBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• 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。
• 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
• US7161024B2
  申请人：——

  公开号：US7161024B2

  公开（公告）日：2007-01-09
• [EN] PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS<br/>[FR] PROCESSUS DE PREPARATION ET DE PURIFICATION D'ESTERS D'ACIDE 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIQUE A PARTIR D'ESTERS D'ACIDE 3-KETOALKANOIQUE
  申请人：SCHERING CORP

  公开号：WO2005007608A2

  公开（公告）日：2005-01-27

  In its several embodiments, this invention discloses a novel process to prepare the compounds of Formula 3, wherein R1 is lower alkyl, and R2 and R3 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.