5-(Diethoxyphosphoryl)-1-ethyl-2,3,3-trimethyl-3H-indol-1-ium | 921615-29-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-(Diethoxyphosphoryl)-1-ethyl-2,3,3-trimethyl-3H-indol-1-ium
• 英文别名: 5-diethoxyphosphoryl-1-ethyl-2,3,3-trimethylindol-1-ium
• CAS: 921615-29-4
• 化学式: C17H27NO3P+
• 分子量: 324.4
• InChiKey: WKCXGFCBQLPFTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38.5
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• CYANINE DERIVATIVES, FLUORESCENT CONJUGATES CONTAINING SAME AND USE THEREOF
  申请人：Bazin Herve

  公开号：US20100143960A1

  公开（公告）日：2010-06-10

  A subject matter of the invention is cyanine derivatives of formula: in which the dotted lines represent the atoms necessary for the formation of one or two fused aromatic rings, each ring comprising 5 or 6 carbon atoms; R 1 , R 2 , R 3 and R 4 represent, independently of one another: H; substituted or unsubstituted C 1 -C 15 alkyl; C 1 -C 6 alkoxy; (C 2 -C 12 )dialkylamino; C 1 -C 6 alkoxycarbonyl; di(C 2 -C 12 )alkylamido; a substituted or unsubstituted aryl, arylalkyl or aryloxy group; a halogen atom; a nitro; an L1-W, L2-M, L2-A or L2-G group; R 5 and R 6 represent, independently of one another: substituted or unsubstituted C 1 -C 15 alkyl; a substituted or unsubstituted aryl or arylalkyl group; an L1-W, L2-M, L2-A or L2-G group; X is chosen from: O, S or CR 7 R 8 ; Y is chosen from: O, S or CR 9 R 10 ; R 7 , R 8 , R 9 and R 10 independently represent: substituted or unsubstituted C 1 -C 15 alkyl; substituted or unsubstituted aryl, arylalkyl or aryloxy; an L1-W, L2-M, L2-A or L2-G group; R 7 and R 8 and/or R 9 and R 10 can also together form a ring comprising 5 or 6 atoms or a heterocycle comprising 4 to 5 carbon atoms and an oxygen atom; B represents a polymethine bridge comprising 1 to 5 methine groups, said groups being in particular individually unsubstituted or substituted by a substituted or unsubstituted C 1 -C 15 alkyl; a substituted or unsubstituted aryl, arylalkyl or aryloxy group; a nitro group; an L1-W, L2-M, L2-A or L2-G group; L1 and L2 are connecting arms; G is a reactive group; A is a coupling agent; M is a conjugated molecule, W is a phosphate or phosphonate ester (preferably diester), with the proviso that the cyanine derivative comprises at least one L1-W group and at least one L2-A, L2-G or L2-M group.

  本发明的主题是公式的青霉烷衍生物： 其中虚线代表形成一个或两个融合芳香环所需的原子，每个环包含5或6个碳原子；R1、R2、R3和R4独立地表示：H；取代或未取代的C1-C15烷基；C1-C6烷氧基；（C2-C12）二烷基胺；C1-C6烷氧羰基；二（C2-C12）烷基酰胺；取代或未取代的芳基、芳基烷基或芳氧基；卤素原子；硝基；L1-W、L2-M、L2-A或L2-G基团；R5和R6独立地表示：取代或未取代的C1-C15烷基；取代或未取代的芳基或芳基烷基；L1-W、L2-M、L2-A或L2-G基团；X选择自：O、S或CR7R8；Y选择自：O、S或CR9R10；R7、R8、R9和R10独立地表示：取代或未取代的C1-C15烷基；取代或未取代的芳基、芳基烷基或芳氧基；L1-W、L2-M、L2-A或L2-G基团；R7和R8和/或R9和R10还可以共同形成包含5或6个原子的环或包含4到5个碳原子和一个氧原子的杂环；B表示包含1到5个甲烷基的聚甲烷桥，所述的基团特别是单独未取代或取代的C1-C15烷基；取代或未取代的芳基、芳基烷基或芳氧基；硝基；L1-W、L2-M、L2-A或L2-G基团；L1和L2是连接臂；G是反应基团；A是偶联剂；M是共轭分子，W是磷酸酯或膦酸酯（优选为二酯），但青霉烷衍生物至少包括一个L1-W基团和至少一个L2-A、L2-G或L2-M基团。