3-bromo-2,2-dimethyl-4-chromanone | 91065-80-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-bromo-2,2-dimethyl-4-chromanone
• 英文别名: 3-bromo-2,2-dimethyl-chroman-4-one；3-Brom-2.2.-dimethyl-chromanon-(4)；3-Brom-2.2-dimethyl-chromanon-(4)；3-bromo-2,2-dimethyl-3H-chromen-4-one
• CAS: 91065-80-4
• 化学式: C₁₁H₁₁BrO₂
• 分子量: 255.111
• InChiKey: ZOMRTKQASGRNSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-2,2-dimethyl-4-chromanone 在 sodium tetrahydroborate 、 对甲苯磺酸 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 3-bromo-2,2-dimethyl-2H-1-benzopyran
  参考文献：
  名称：

  신규한 벤조피라닐 테트라사이클 화합물, 및 이를 포함하는 우수한 항염증 효과를 갖는 약학적 조성물

  摘要：

  本发明涉及一种新的化合物，化学式为3(2j)或5(2l)，以及包含该化合物的具有优异抗炎作用的药学组合物。这些化合物通过阻止炎症诱导因子HMGB1蛋白从细胞核移动到细胞质，具有优异的抗炎效果，特别是对败血症等具有优异治疗效果或预防效果。【化学式3】【化学式5】

  公开号：

  KR20190044366A
• 作为产物：
  描述：

  2,2,-二甲基-2H-苯并吡喃 在 N-溴代丁二酰亚胺(NBS) 、 2-碘酰基苯甲酸 作用下， 以 二甲基亚砜 为溶剂， 反应 0.5h， 以88%的产率得到3-bromo-2,2-dimethyl-4-chromanone
  参考文献：
  名称：

  An expedient protocol for conversion of olefins to α-bromo/iodoketones using IBX and NBS/NIS

  摘要：

  A variety of olefins have been shown to undergo conversion to the corresponding alpha-bromo/iodoketones when reacted with NBS/NIS and IBX in DMSO at room temperature. While the reaction is found to occur rapidly with e-rich arylolefins leading to the corresponding haloketones in 65-95% yields in 0.3-3.0 h, those containing e-withdrawing groups are found to yield diketones concomitantly, such that the latter are the exclusive products over extended duration of the reactions. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.03.032

文献信息

• Benzopyranyl tetracycle compound and pharmaceutical composition having excellent anti-inflammatory effect comprising the same
  申请人：Spark Biopharma, Inc.

  公开号：US10160766B1

  公开（公告）日：2018-12-25

  The present invention relates a novel compound represented by the following Formula 3 or Formula 5, and a pharmaceutical composition having superior anti-inflammatory effect comprising the above. The above compound inhibits the translocation of HMGB1 form nucleus to cytosol, and then has remarkable effect of treating or preventing inflammatory disease, especially sepsis.

  本发明涉及以下公式3或公式5所表示的新化合物，以及包含上述化合物的具有优越抗炎效果的药物组合物。上述化合物抑制HMGB1从细胞核向细胞质的转位，因此对治疗或预防炎症性疾病，尤其是败血症有显著效果。
• Base-Induced Coupling of α-Azido Ketones with Aldehydes − An Easy and Efficient Route to Trifunctionalized Synthons 2-Azido-3-hydroxy Ketones, 2-Acylaziridines, and 2-Acylspiroaziridines
  作者：Tamás Patonay、Éva Juhász-Tóth、Attila Bényei

  DOI：10.1002/1099-0690(20021)2002:2<285::aid-ejoc285>3.0.co;2-j

  日期：2002.1
• Discovery of Novel Benzopyranyl Tetracycles that Act as Inhibitors of Osteoclastogenesis Induced by Receptor Activator of NF-κB Ligand
  作者：Mingyan Zhu、Myung Hee Kim、Sanghee Lee、Su Jung Bae、Seong Hwan Kim、Seung Bum Park

  DOI：10.1021/jm1011269

  日期：2010.12.23

  A novel benzopyran-fused molecular framework 7ai was discovered as a specific inhibitor of RANKL-induced osteoclastogenesis using a cell-based TRAP activity assay from drug-like small-molecule libraries constructed by diversity-oriented synthesis. Its inhibitory activity was confirmed by in vitro evaluations including specific inhibition of RANKL-induced ERK phosphorylation and NF-kappa B transcriptional activation. 7ai can serve as a specific small-molecule modulator for mechanistic studies of RANKL-induced osteoclast differentiation as well as a potential lead for the development of antiresorptive drugs.
• Brogden, Peter J.; Hepworth, John D., Journal of the Chemical Society. Perkin transactions I, 1983, p. 827 - 830
  作者：Brogden, Peter J.、Hepworth, John D.

  DOI：——

  日期：——
• DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS
  申请人：ALLERGAN, INC.

  公开号：EP1704139A1

  公开（公告）日：2006-09-27