2-[4,6-Bis(dicarboxymethyl)-1,3,5-triazin-2-yl]propanedioic acid | 7316-79-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[4,6-Bis(dicarboxymethyl)-1,3,5-triazin-2-yl]propanedioic acid
• CAS: 7316-79-2
• 化学式: C₁₂H₉N₃O₁₂
• 分子量: 387.216
• InChiKey: UFISVWGAODKHMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  263
• 氢给体数：
  6
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  2-[4,6-Bis(dicarboxymethyl)-1,3,5-triazin-2-yl]propanedioic acid 在 五氯化磷 作用下， 生成
  参考文献：
  名称：

  Synthesis, Structural, and Physicochemical Study of First- and Second-Generation Melamine-Based Dendrimers

  摘要：

  First-tier (G(1)) 2,4,6-tridiethymalonate-triazine (2,4,6-TDEMTA) and second-tier (G(2)) 2,4,6-hexadiethylmalonate-triazine (2,4,6-HDEMTA) dendrimers were prepared with melamine (1,3,5-triazine) as core (G(0)) and sodium malonate ester for bifurcation of chains. The trichlorotriazine (TCT) and sodium diethyl malonate (SDEM) aqueous solutions were mixed, and a creamy white precipitate of G(1) was obtained. The G(1) was hydrolyzed in alkaline medium to prepare 2,4,6-tridisodiummalonate-triazine (2,4,6-TDSMTA) by replacing -C2H5 groups of COOC2H5 by Na, which was further neutralized by dilute HCl to obtain 2,4,6-trimalonicacid-triazine (2,4,6-TMATA). The TMATA was treated with PCl5(s) to form -COCl, which was treated with SDEM to form the G(2).

  DOI：

  10.1080/00397910801993727
• 作为产物：
  描述：

  Propanedioic acid, 2,2',2''-(1,3,5-triazine-2,4,6(1H,3H,5H)-trimethylidene)tris-, hexaethyl ester 在 乙醇 作用下， 反应 4.0h， 生成 2-[4,6-Bis(dicarboxymethyl)-1,3,5-triazin-2-yl]propanedioic acid
  参考文献：
  名称：

  Synthesis, Structural, and Physicochemical Study of First- and Second-Generation Melamine-Based Dendrimers

  摘要：

  First-tier (G(1)) 2,4,6-tridiethymalonate-triazine (2,4,6-TDEMTA) and second-tier (G(2)) 2,4,6-hexadiethylmalonate-triazine (2,4,6-HDEMTA) dendrimers were prepared with melamine (1,3,5-triazine) as core (G(0)) and sodium malonate ester for bifurcation of chains. The trichlorotriazine (TCT) and sodium diethyl malonate (SDEM) aqueous solutions were mixed, and a creamy white precipitate of G(1) was obtained. The G(1) was hydrolyzed in alkaline medium to prepare 2,4,6-tridisodiummalonate-triazine (2,4,6-TDSMTA) by replacing -C2H5 groups of COOC2H5 by Na, which was further neutralized by dilute HCl to obtain 2,4,6-trimalonicacid-triazine (2,4,6-TMATA). The TMATA was treated with PCl5(s) to form -COCl, which was treated with SDEM to form the G(2).

  DOI：

  10.1080/00397910801993727

文献信息

• Hindered amine derivatives of triazine and hexahydrotriazine
  申请人：CIBA-GEIGY AG

  公开号：EP0389432B1

  公开（公告）日：1994-09-21
• Synthesis, Structural, and Physicochemical Study of First- and Second-Generation Melamine-Based Dendrimers
  作者：Man Singh、Shalini Gupta

  DOI：10.1080/00397910801993727

  日期：2008.8.18

  First-tier (G(1)) 2,4,6-tridiethymalonate-triazine (2,4,6-TDEMTA) and second-tier (G(2)) 2,4,6-hexadiethylmalonate-triazine (2,4,6-HDEMTA) dendrimers were prepared with melamine (1,3,5-triazine) as core (G(0)) and sodium malonate ester for bifurcation of chains. The trichlorotriazine (TCT) and sodium diethyl malonate (SDEM) aqueous solutions were mixed, and a creamy white precipitate of G(1) was obtained. The G(1) was hydrolyzed in alkaline medium to prepare 2,4,6-tridisodiummalonate-triazine (2,4,6-TDSMTA) by replacing -C2H5 groups of COOC2H5 by Na, which was further neutralized by dilute HCl to obtain 2,4,6-trimalonicacid-triazine (2,4,6-TMATA). The TMATA was treated with PCl5(s) to form -COCl, which was treated with SDEM to form the G(2).