2-[(叔-丁氧羰基)氨基]-3-(2-氟-4,5-二甲氧基苯基)-2-丙酸甲酯 | 853759-47-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: 2-[(叔-丁氧羰基)氨基]-3-(2-氟-4,5-二甲氧基苯基)-2-丙酸甲酯
• 英文名称: Methyl (2Z)-3-(2-fluoro-4,5-dimethoxyphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acrylate
• 英文别名: methyl (Z)-3-(2-fluoro-4,5-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
• CAS: 853759-47-4
• 化学式: C₁₇H₂₂FNO₆
• 分子量: 355.4
• InChiKey: WWHSTYSOUUZDEM-GHXNOFRVSA-N

物化性质

• 溶解度：
  溶于二氯甲烷

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] FLUORINATION METHOD<br/>[FR] PROCÉDÉ DE FLUORATION
  申请人：ISIS INNOVATION

  公开号：WO2015140572A1

  公开（公告）日：2015-09-24

  The present invention relates to a process for producing an organic compound comprising an 18F atom. The compounds comprising an 18F can be useful as PET ligands for use in diagnostics and/or scanning. The process of the invention comprises treating an organoboron compound, which organoboron compound comprises a boron atom bonded to an sp2 hybridised carbon atom, with (i) 18F – and (ii) a copper compound. The invention also provides the use of an organoboron compound, which organoboron compound comprises a boron atom bonded to an sp2 hybridised carbon atom, in a process for producing an organic compound comprising an 18F atom, which process comprises treating the organoboron compound with (i) 18F – and (ii) a copper compound. The invention also provides a compound of formula (XXXVII): wherein: each PGA is independently H or an alcohol protecting group; PGB is H or a carboxylic acid protecting group; each PGC is independently an amine protecting group; Z is a group selected from a boronic ester group, a boronic acid group, a borate group, and a trifluoroborate group; and a is an integer from 0 to 4.

  本发明涉及一种制备含有18F原子的有机化合物的方法。含有18F的化合物可用作PET配体，用于诊断和/或扫描。该发明的方法包括处理一种含有有机硼化合物，该有机硼化合物包括与sp2杂化碳原子键合的硼原子，与（i）18F-和（ii）铜化合物。该发明还提供了一种有机硼化合物的用途，该有机硼化合物包括与sp2杂化碳原子键合的硼原子，在制备含有18F原子的有机化合物的方法中，该方法包括处理该有机硼化合物与（i）18F-和（ii）铜化合物。该发明还提供了一种化合物的公式（XXXVII）：其中：每个PGA独立地为H或醇保护基；PGB为H或羧酸保护基；每个PGC独立地为胺保护基；Z为从硼酯基团、硼酸基团、硼酸盐基团和三氟硼酸盐基团中选择的基团；a为0到4之间的整数。
• Fluorination method
  申请人：Oxford University Innovation Limited

  公开号：US10287220B2

  公开（公告）日：2019-05-14

  The present invention relates to a process for producing an organic compound comprising an 18F atom. The compounds comprising an 18F can be useful as PET ligands for use in diagnostics and/or scanning. The process of the invention comprises treating an organoboron compound, which organoboron compound comprises a boron atom bonded to an sp2 hybridized carbon atom, with (i) 18F— and (ii) a copper compound. The invention also provides the use of an organoboron compound, which organoboron compound comprises a boron atom bonded to an sp2 hybridized carbon atom, in a process for producing an organic compound comprising an 18F atom, which process comprises treating the organoboron compound with (i)18F— and (ii) a copper compound. The invention also provides a compound of formula (XXXVII): wherein: each PGA is independently H or an alcohol protecting group; PGB is H or a carboxylic acid protecting group; each PGC is independently an amine protecting group; Z is a group selected from a boronic ester group, a boronic acid group, a borate group, and a trifluoroborate group; and a is an integer from 0 to 4.

  本发明涉及一种生产含有 18F 原子的有机化合物的工艺。含有 18F 的化合物可用作 PET 配体，用于诊断和/或扫描。本发明的工艺包括用(i)18F-和(ii)铜化合物处理有机硼化合物，该有机硼化合物包括与sp2杂化碳原子键合的硼原子。本发明还提供了有机硼化合物在生产包含 18F 原子的有机化合物的工艺中的用途，该有机硼化合物包含与 sp2 杂化碳原子键合的硼原子，该工艺包括用(i)18F- 和(ii)铜化合物处理该有机硼化合物。本发明还提供了式(XXXVII)的化合物： 其中：每个 PGA 独立地为 H 或醇保护基；PGB 为 H 或羧酸保护基；每个 PGC 独立地为胺保护基；Z 为选自硼酸酯基、硼酸基、硼酸盐基和三氟硼酸盐基的基团；以及 a 为 0 至 4 的整数。
• FLUORINATION METHOD
  申请人：Oxford University Innovation Limited

  公开号：US20170137341A1

  公开（公告）日：2017-05-18

  The present invention relates to a process for producing an organic compound comprising an 18 F atom. The compounds comprising an 18 F can be useful as PET ligands for use in diagnostics and/or scanning. The process of the invention comprises treating an organoboron compound, which organoboron compound comprises a boron atom bonded to an sp 2 hybridised carbon atom, with (i) 18 F— and (ii) a copper compound. The invention also provides the use of an organoboron compound, which organoboron compound comprises a boron atom bonded to an sp 2 hybridised carbon atom, in a process for producing an organic compound comprising an 18 F atom, which process comprises treating the organoboron compound with (i) 18 F— and (ii) a copper compound. The invention also provides a compound of formula (XXXVII): wherein: each PG A is independently H or an alcohol protecting group; PG B is H or a carboxylic acid protecting group; each PG C is independently an amine protecting group; Z is a group selected from a boronic ester group, a boronic acid group, a borate group, and a trifluoroborate group; and a is an integer from 0 to 4.