2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-(2'-iodo-4'-methoxy-5'-formylbenzyl)-(2R,5S)-pyrazine | 1206189-88-9

• 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: 2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-(2'-iodo-4'-methoxy-5'-formylbenzyl)-(2R,5S)-pyrazine
• 英文别名: 2,5-Dihydro-3,6-dimethoxy-2-isopropyl-5-(2'-iodo-4'-methoxy-5'-formylbenzyl)-(2R,55)-pyrazine；5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-4-iodo-2-methoxybenzaldehyde
• CAS: 1206189-88-9
• 化学式: C₁₈H₂₃IN₂O₄
• 分子量: 458.296
• InChiKey: CSYPWUJNWMIJGQ-GOEBONIOSA-N

物化性质

• 沸点：
  526.6±50.0 °C(Predicted)
• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-(2'-iodo-4'-methoxy-5'-formylbenzyl)-(2R,5S)-pyrazine 在 二甲基二环氧乙烷 作用下， 以 丙酮 为溶剂， 以100%的产率得到2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-(2'-iodyl-4'-methoxy-5'-formylbenzyl)-(2R,5S)-pyrazine
  参考文献：
  名称：

  [EN] NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS
  [FR] FLUORATION NUCLÉOPHILE DE COMPOSÉS AROMATIQUES

  摘要：

  公开号：

  WO2010008522A3
• 作为产物：
  描述：

  1,1-二氯甲醚 、 2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-(2'-iodo-4'-methoxybenzyl)-(2R,5S)-pyrazine 在 四氯化锡 、 氯化铵 作用下， 以 二氯甲烷 为溶剂， 反应 1.25h， 以48%的产率得到2,5-dihydro-3,6-dimethoxy-2-isopropyl-5-(2'-iodo-4'-methoxy-5'-formylbenzyl)-(2R,5S)-pyrazine
  参考文献：
  名称：

  [EN] NUCLEOPHILIC FLUORINATION OF AROMATIC COMPOUNDS
  [FR] FLUORATION NUCLÉOPHILE DE COMPOSÉS AROMATIQUES

  摘要：

  公开号：

  WO2010008522A3

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。
• Nucleophilic fluorination of aromatic compounds
  申请人：Satyamurthy Nagichettiar

  公开号：US08674101B2

  公开（公告）日：2014-03-18

  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](F/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.

  取代了电子给予和电子吸引基团的碘苯衍生物可用作芳香族亲核取代反应的前体。亚碘基团（IO2）被亲核性氟离子区域特异性地取代，从而提供相应的氟代芳基衍生物。无载体添加的[F-18]氟离子，可以从无水[F-18]（F/Kryptofix，[F-18]CsF或季铵氟化物（例如，Me4NF，Et4NF，n-Bu4NF，（PhCH2）4NF）中获得，它们仅取代这些衍生物中的亚碘基团，并提供高比活度的F-18标记的氟代芳基类似物。苯并噻唑类似物和6-碘-L-多巴衍生物的碘衍生物已合成为前体，并用于制备无载体添加的[F-18]氟代苯并噻唑以及6-[F-18]氟-L-多巴。
• US8674101B2
  申请人：——

  公开号：US8674101B2

  公开（公告）日：2014-03-18