Ethyl P-(3-carboxy-4-isopropylcarbonylaminophenyl)-P-(pyrid-4-yl-hydroxymethyl)phosphinate

• 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: Ethyl P-(3-carboxy-4-isopropylcarbonylaminophenyl)-P-(pyrid-4-yl-hydroxymethyl)phosphinate
• 英文别名: 5-[Ethoxy-[hydroxy(pyridin-4-yl)methyl]phosphoryl]-2-(2-methylpropanoylamino)benzoic acid
• 化学式: C₁₉H₂₃N₂O₆P
• 分子量: 406.375
• InChiKey: PAOUXRYBGCGTQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• COMBINATORIAL PREPARATIONS OF PHOSPHORUS-CONTAINING ACTIVE COMPOUNDS AND INTERMEDIATES BY SOLID PHASE SYNTHESIS
  申请人：——

  公开号：US20030108944A1

  公开（公告）日：2003-06-12

  The invention relates to solid phase processes for the systematic preparation of chemical compounds from the group of the phosphonous or phosphinic acids and/or derivatives thereof and the corresponding substance libraries which can be employed for test purposes, in particular tests for biological activity. The compounds (I) YR 1 P(═O)(OR 3 )R 2 (I) in which Y, R 1 , R 2 , R 3 are as defined in claim 1 are prepared by reacting a resin-linker adduct (II) [resin polymer]-[linker-Z-E 1 -S 1 ] n in the presence of a suitable Pd catalyst with a phosphinate (III) A 1 -O—(PHO)A □ (III) with substitution of the group S 1 to give the compound (IV) [resin polymer]-[linker-Z-E 1 -P(H)(═O)—OA 1 (IV) and cleaving the compound (I) after derivatization reactions on the resin from the resin-linker adduct. The invention also provides the intermediate steps and resin-linked intermediate compounds, and also the substance libraries obtained.

  本发明涉及系统制备膦酸或膦酸和/或其衍生物类化合物以及相应物质库的固相工艺，这些物质库可用于测试目的，特别是生物活性测试。化合物 (I) YR 1 P(═O)(OR 3 )R 2 (I) 其中 Y、R 1 , R 2 , R 3 如权利要求 1 所定义，是通过树脂-连接剂加成物(II)反应制备的 [树脂聚合物]-[连接剂-Z-E 1 -S 1 &rsqb； n 在适当的钯催化剂存在下，与膦酸盐 (III) A 1 -O-(PHO)A &square； (III) 用 S 1 得到化合物 (IV) [树脂聚合物]-[连接剂-Z-E 1 -P(H)(═O)-OA 1 (IV) 在树脂上进行衍生反应后，从树脂-连接剂加合物中裂解出化合物 (I)。 本发明还提供了中间步骤和树脂连接中间化合物，以及所获得的物质库。
• Combinatorial preparation of phosphorus-containing active compounds and intermediates by solid phase synthesis
  申请人：——

  公开号：US20040138495A1

  公开（公告）日：2004-07-15

  The invention relates to solid phase processes for the systematic preparation of chemical compounds from the group of the phosphonous or phosphinic acids and/or derivatives thereof and the corresponding substance libraries which can be employed for test purposes, in particular tests for biological activity. The compounds YR 1 P(═O)(OR 3 )R 2 (I) in which Y, R 1 , R 2 , R 3 are as defined in claim 1 are prepared by reacting a resin-linker adduct (II) [resin polymer]-[linker-Z-E 1 -S 1 ] n in the presence of a suitable Pd catalyst with a phosphinate (III) A 1 -O—(PHO)A □ (III) with substitution of the group S 1 to give the compound (IV) [resin polymer]-[linker-Z-E 1 -P(H)(═O)—OA 1 (IV) and cleaving the compound (I) after derivatization reactions on the resin from the resin-linker adduct. The invention also provides the intermediate steps and resin-linked intermediate compounds, and also the substance libraries obtained.

  本发明涉及从膦酸或膦酸和/或其衍生物组中系统制备化合物的固相工艺以及相应的物质库，这些物质库可用于测试目的，特别是生物活性测试。化合物 YR 1 P(═O)(OR 3 )R 2 (I) 其中 Y、R 1 , R 2 , R 3 如权利要求 1 通过使树脂-连接剂加成物(II)反应制备 [树脂聚合物]-[连接剂-Z-E 1 -S 1 &rsqb； n 在适当的钯催化剂存在下，与膦酸盐 (III) A 1 -O-(PHO)A &square； (III) 用 S 1 得到化合物 (IV) [树脂聚合物]-[连接剂-Z-E 1 -P(H)(═O)-OA 1 (IV) 在树脂上进行衍生反应后，从树脂-连接剂加合物中裂解出化合物 (I)。 本发明还提供了中间步骤和树脂连接中间化合物，以及所获得的物质库。
• KOMBINATORISCHE ERZEUGUNG VON PHOSPHINSÄUREDERIVATEN
  申请人：Aventis CropScience GmbH

  公开号：EP1023299B1

  公开（公告）日：2002-03-27