[Benzyl(phenyl)amino]propanedioic acid | 89915-97-9

• 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: [Benzyl(phenyl)amino]propanedioic acid
• 英文别名: 2-(N-benzylanilino)propanedioic acid
• CAS: 89915-97-9
• 化学式: C₁₆H₁₅NO₄
• 分子量: 285.29
• InChiKey: UVSDPWXSFIKAPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  77.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Novel thiazolo(3,2-a)pyrimidines, derivatives thereof, processes for production thereof, and pharmaceutical use thereof
  申请人：TEIJIN LIMITED

  公开号：EP0049902A2

  公开（公告）日：1982-04-21

  A compound selected from thiazolo(3,2-a)pyrimidines or their enolate derivatives represented by the following general formula wherein R1 and R2 are identical or different, and each represents a hydrogen atom, an alkyl group having 1 to 10 carbon atoms, an alkenyl group having 3 to 10 carbon atoms, a substituted or unsubstituted phenyl group, a substituted or unsubstituted cycloaliphatic group having 3 to 8 carbon atoms, a substituted or unsubstituted phenylalkyl group or a substituted or unsubstituted acyl group having 2 to 7 carbon atoms, provided that R and R2 are not simultaneously hydrogen atoms or substituted or unsubstituted acyl groups having 2 to 7 carbon atoms; and R and R2, when taken together, may form, with the nitrogen atom to which they are bonded, a 5- or 6-membered ring which may further contain one or more hetero atoms; and acid addition salts of these compounds. The thiazolo(3,2-a)pyrimidines may be prepared by a process comprising (a) reacting a malonic acid derivative of the following general formula wherein R' and R2 are as defined with regard to formula (I), and R4 and R5 are identical or different and each represents an alkyl group having 1 to 6 carbon atoms, with 2-aminothiazoline under heat, if desired in the presence of an inert organic solvent, to induce cyclocondensation, or (b) performing said condensation reaction in the presence of an alkali metal alkoxide, if desired in the presence of an inert organic solvent, and neutralizing the resulting enolate with an acid: and if desired, reacting the reaction product of (a) or (b) with an acid. The present invention provides also several processes for preparing enolate derivatives thereof. The thiazolo(3,2-a)pyrimidines, their enolate derivatives and acid addition compounds thereof are useful for regulating the immune function of a warm-blooded animal.

  选自以下通式所代表的噻唑并(3,2-a)嘧啶或其烯内酯衍生物的化合物 其中 R1 和 R2 相同或不同，且各自代表氢原子、具有 1 至 10 个碳原子的烷基、具有 3 至 10 个碳原子的烯基、取代或未取代的苯基、具有 3 至 8 个碳原子的取代或未取代的环脂族基团、取代或未取代的苯基烷基或具有 2 至 7 个碳原子的取代或未取代的酰基，但 R 和 R2 不能同时为氢原子或具有 2 至 7 个碳原子的取代或未取代的酰基；当 R 和 R2 结合在一起时，可与它们所结合的氮原子形成一个 5 或 6 元环，该环可进一步含有一个或多个杂原子；以及这些化合物的酸加成盐。 噻唑并(3,2-a)嘧啶可通过以下工艺制备：(a) 使以下通式的丙二酸衍生物发生反应 其中 R' 和 R2 如式 (I) 所定义，R4 和 R5 相同或不同，且各自代表具有 1 至 6 个碳原子的烷基，与 2-氨基噻唑啉在加热条件下（如需要，在惰性有机溶剂存在下）反应，以诱导环缩合，或 (b) 如果需要，在惰性有机溶剂存在下，在碱金属烷氧化物存在下进行所述缩合反应，并用酸中和生成的烯醇盐。 (b) 的反应产物与酸反应。 本发明还提供了几种制备其烯醇衍生物的工艺。 噻唑并(3,2-a)嘧啶及其烯醇衍生物和酸加成化合物可用于调节温血动物的免疫功能。
• US4421914A
  申请人：——

  公开号：US4421914A

  公开（公告）日：1983-12-20