2-bromo-1-(3',5'-diiodo-2'-hydroxyphenyl)-1-ethanone | 32559-04-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(3',5'-diiodo-2'-hydroxyphenyl)-1-ethanone
• 英文别名: 2-bromo-1-(2-hydroxy-3,5-diiodophenyl)ethan-1-one；2-Hydroxy-3,5-diiod-α-bromacetophenon；2-Bromo-1-(2-hydroxy-3,5-diiodophenyl)ethanone
• CAS: 32559-04-9
• 化学式: C₈H₅BrI₂O₂
• 分子量: 466.839
• InChiKey: UQDIUVDXFPDDJE-UHFFFAOYSA-N

物化性质

• 沸点：
  391.7±42.0 °C(Predicted)
• 密度：
  2.641±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(3',5'-diiodo-2'-hydroxyphenyl)-1-ethanone 在 高氯酸 、 甲烷磺酸 、 phosphorus pentoxide 作用下， 生成 4-(2-Hydroxy-3,5-diiodo-phenyl)-2-pyrrolidin-1-yl-[1,3]dithiol-1-ylium; perchlorate
  参考文献：
  名称：

  一种制备 1,3-二噻吩盐的新方法

  摘要：

  4-(3',5'-二碘-2'-羟基-苯基)-2-(N,N-二烷基氨基)-1,3-二硫鎓高氯酸盐的合成是通过相应的 N,N-在“超强酸”混合物 P2O5–CH3SO3H 存在下的二烷基氨基碳二硫代酸盐。

  DOI：

  10.1081/scc-100104016

文献信息

• An Improved Synthetic Method for Sensitive Iodine Containing Tricyclic Flavonoids
  作者：Mihail Lucian Birsa、Laura G. Sarbu

  DOI：10.3390/molecules27238430

  日期：——

  The synthesis of new iodine containing synthetic tricyclic flavonoids is reported. Due to the sensitivity of the precursors to the heat and acidic conditions required for the ring closure of the 1,3-dithiolium core, a new cyclization method has been developed. It consists in the treatment of the corresponding iodine-substituted 3-dithiocarbamic flavonoids with a 1:1 (v/v) mixture of glacial acetic

  报道了新型含碘合成三环类黄酮的合成。由于前体对 1,3-二硫鎓核闭环所需的热和酸性条件的敏感性，开发了一种新的环化方法。它包括在 40 °C 下用 1:1 (v/v) 的冰醋酸-浓硫酸混合物处理相应的碘取代的 3-二硫代氨基甲酸类黄酮。碘取代的 3-二硫代氨基甲酸类黄酮的合成也根据反应条件进行了调整。
• Solvatochromism of mesoionic iodo(1,3-dithiol-2-ylium-4-yl)phenolates
  作者：Lucian M. Birsa、Luliean V. Asaftei

  DOI：10.1007/s00706-008-0944-y

  日期：2008.12

  Novel mesoionic phenolates were synthesized via 4-hydroxyaryl-1,3-dithiolium salts and characterized spectroscopically by UV-Vis. The batho-chromic effect induced by iodine substituents was investigated for several solvents. A negative solvatochromism was recorded for the intramolecular charge transfer absorption band.
• New flavones by a novel synthetic route
  作者：Angela Sandulache、Alexandru Cascaval、Nicoletta Toniutti、Angelo G. Giumanini

  DOI：10.1016/s0040-4020(97)00628-5

  日期：1997.7

  Twelve new flavones ((3) under bar) were prepared by the reaction of 2-hydroxy-alpha-bromoacetophenones ((1) under bar) with piperidine or morpholine animals of benzaldeydes ((2) under bar) in refluxing methanol. The products ((3) under bar) were fully characterised by H-1 NMR and IR spectroscopy and MS spectrometry. (C) 1997 Elsevier Science Ltd.
• A NEW APPROACH TO PREPARATION OF 1,3-DITHIOLIUM SALTS
  作者：Mihail Lucian Birsa

  DOI：10.1081/scc-100104016

  日期：2001.1.1

  The synthesis of 4-(3′,5′-diiodo-2′-hydroxy-phenyl)- 2-(N,N-dialkylamino)-1,3-dithiolium perchlorates has been performed by cyclization of the corresponding N,N-dialkylaminocarbodithioates in presence of the “superacid” mixture P2O5–CH3SO3H.

  4-(3',5'-二碘-2'-羟基-苯基)-2-(N,N-二烷基氨基)-1,3-二硫鎓高氯酸盐的合成是通过相应的 N,N-在“超强酸”混合物 P2O5–CH3SO3H 存在下的二烷基氨基碳二硫代酸盐。