tert-butyl (2R,5R)-2-(tert-butyl)-3,5-dimethyl-4-oxo-1-imidazolidinecarboxylate | 123074-15-7

• 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: tert-butyl (2R,5R)-2-(tert-butyl)-3,5-dimethyl-4-oxo-1-imidazolidinecarboxylate
• 英文别名: tert-butyl (2R,5R)-2-tert-butyl-3,5-dimethyl-4-oxoimidazolidine-1-carboxylate
• CAS: 123074-15-7
• 化学式: C₁₄H₂₆N₂O₃
• 分子量: 270.372
• InChiKey: PVQFEORWMIYROR-MWLCHTKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl (2R,5R)-2-(tert-butyl)-3,5-dimethyl-4-oxo-1-imidazolidinecarboxylate 在 碳酸氢钠 、 三氟乙酸 、 lithium diisopropyl amide 作用下， 反应 14.0h， 生成 (3S,7aR)-3-(tert-butyl)-2,7a-dimethylhexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
  参考文献：
  名称：

  Seebach, Dieter; Dziadulewicz, Edward; Behrendt, Linda, Liebigs Annalen der Chemie, 1989, p. 1215 - 1232

  摘要：

  DOI：
• 作为产物：
  描述：

  (R)-1-boc-2-叔丁基-3-甲基-4-咪唑啉酮 、 碘甲烷 在 lithium diisopropyl amide 作用下， 生成 tert-butyl (2R,5R)-2-(tert-butyl)-3,5-dimethyl-4-oxo-1-imidazolidinecarboxylate
  参考文献：
  名称：

  Seebach, Dieter; Dziadulewicz, Edward; Behrendt, Linda, Liebigs Annalen der Chemie, 1989, p. 1215 - 1232

  摘要：

  DOI：

文献信息

• NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS
  申请人：Satyamurthy Nagichettiar

  公开号：US20110178302A1

  公开（公告）日：2011-07-21

  Iodylbenzene derivatives substituted with electron donating as well as electron withdrawing groups on the aromatic ring are used as precursors in aromatic nucleophilic substitution reactions. The iodyl group (IO 2 ) is regiospecifically substituted by nucleophilic fluoride to provide the corresponding fluoroaryl derivatives. No-carrier-added [F-18]fluoride ion derived from anhydrous [F-18](F/Kryptofix, [F-18]CsF or a quaternary ammonium fluoride (e.g., Me 4 NF, Et 4 NF, n-Bu 4 NF, (PhCH 2 ) 4 NF) exclusively substitutes the iodyl moiety in these derivatives and provides high specific activity F-18 labeled fluoroaryl analogs. Iodyl derivatives of a benzothiazole analog and 6-iodyl-L-dopa derivatives have been synthesized as precursors and have been used in the preparation of no-carrier-added [F-18]fluorobenzothiazole as well as 6-[F-18]fluoro-L-dopa.

  取代了电子给予基团和电子吸引基团的碘苯衍生物在芳香族亲核取代反应中被用作前体。亚碘酰基团(IO2)被亲核氟以区域特异性取代，提供相应的氟芳基衍生物。无载体添加的[F-18]氟离子源自无水[F-18](F/Kryptofix、[F-18]CsF或季铵氟化物(例如Me4NF、Et4NF、n-Bu4NF、(PhCH2)4NF))，只取代这些衍生物中的亚碘酰基团，并提供高比活度的F-18标记的氟芳基类似物。苯并噻唑类似物和6-碘-L-多巴衍生物的亚碘衍生物已被合成为前体，并用于制备无载体添加的[F-18]氟苯并噻唑和6-[F-18]氟-L-多巴。
• [EN] NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS<br/>[FR] FLUORATION NUCLÉOPHILE DE COMPOSÉS AROMATIQUES
  申请人：UNIV CALIFORNIA

  公开号：WO2010008522A2

  公开（公告）日：2010-01-21

  Iodylbenzene derivatives substituted with electron donating as well as electron withdrawing groups on the aromatic ring are used as precursors in aromatic nucleophilic substitution reactions. The iodyl group (IO2) is regiospecifically substituted by nucleophilic fluoride to provide the corresponding fluoroaryl derivatives. No-carrier-added [F-18] fluoride ion derived from anhydrous [F- 18]KF/Kryptofix, [F-18]CsF or a quaternary ammonium fluoride (e.g., Me4NF, Et4NF, n-Bu4NF, (PhCH2)4NF) exclusively substitutes the iodyl moiety in these derivatives and provides high specific activity F- 18 labeled fluoroaryl analogs. Iodyl derivatives of a benzothiazole analog and 6-iodyl-L-dopa derivatives have been synthesized as precursors and have been used in the preparation of no-carrier-added [F-18]fluorobenzothiazole as well as 6-[F-18]fluoro-L-dopa.