4,7-dihydroxy-8-methyl-2H-1-benzopyran-2-one | 67973-49-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4,7-dihydroxy-8-methyl-2H-1-benzopyran-2-one
• 英文别名: 4,7-dihydroxy-8-methylcoumarin；4,7-dihydroxy-8-methyl-2H-chromen-2-one；4,7-Dihydroxy-8-methyl-cumarin；4,7-dihydroxy-8-methylchromen-2-one
• CAS: 67973-49-3
• 化学式: C₁₀H₈O₄
• 分子量: 192.171
• InChiKey: FSHDIWZSPSHGLU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,7-dihydroxy-8-methyl-2H-1-benzopyran-2-one 在 potassium fluoride 、 氢氟酸 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 生成 5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6R)-6-[4-(2-bromo-ethoxy)-8-methyl-2-oxo-2H-chromen-7-yloxy]-5-hydroxy-3-methoxy-2,2-dimethyl-tetrahydro-pyran-4-yl ester
  参考文献：
  名称：

  Structure-activity relationship in two series of aminoalkyl substituted coumarin inhibitors of gyrase B

  摘要：

  Two series of aminosubstituted coumarins were synthesised and evaluated in vitro as inhibitors of DNA gyrase and as potential antibacterials. Novel novobiocin-like coumarins, 4-(dialkylamino)-methylcoumarins and 4-((2-alkylamino)ethoxy)coumarins, were discovered as gyrase B inhibitors with promising antibacterial activity in vitro. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00492-8
• 作为产物：
  描述：

  7-hydroxy-4-imino-8-methyl-chroman-2-one 在 硫酸 作用下， 生成 4,7-dihydroxy-8-methyl-2H-1-benzopyran-2-one
  参考文献：
  名称：

  Novobiocin. VII. Synthesis of Novobiocic Acid, Dihydronovobiocic Acid and Cyclonovobiocic Acid

  摘要：

  DOI：

  10.1021/ja01534a038

文献信息

• [EN] BICYCLIC PIPERIDINE DERIVATIVES AS ANTAGONISTS OF THE CCR1 CHEMOKINE RECEPTOR<br/>[FR] DERIVES DE PIPERIDINE BICYCLIQUES UTILISES COMME ANTAGONISTES DU RECEPTEUR DE CHIMIOKINE CCR1
  申请人：PFIZER PROD INC

  公开号：WO2004009588A1

  公开（公告）日：2004-01-29

  A compound of the formula (I) wherein a, b, cR1, R2, R3, R4, R5, R6, Q, W, Y, and Z are defined as above, useful as potent and selective inhibitors of MIP-1α(CCL3) binding to its receptor CCR1 found on inflammatory and immunomodulatory cells (preferably leukocytes and lymphocytes).

  一种具有如上所定义的a、b、c、R1、R2、R3、R4、R5、R6、Q、W、Y和Z的化合物，用作MIP-1α（CCL3）与其受体CCR1结合的有效且选择性抑制剂，该受体存在于炎症和免疫调节细胞上（最好是白细胞和淋巴细胞）。
• [EN] SUBSTITUTED FUROCHROMENE COMPOUNDS OF ANTIINFLAMMATORY ACTION<br/>[FR] COMPOSES DE FUROCHROMENE SUBSTITUES A ACTION ANTI-INFLAMMATOIRE
  申请人：PLIVA ISTRAZIVACKI INST D O O

  公开号：WO2005010006A1

  公开（公告）日：2005-02-03

  The present invention relates to novel compounds of the formula (I) including all stereoisomers and tautomers, to the pharmaceutically acceptable salts and solvates thereof, to the processes and reactive intermediates for their preparation and to their use in the prophylaxis and treatment of asthma and other inflammatory diseases and/or conditions in humans.

  本发明涉及公式（I）的新化合物，包括所有立体异构体和互变异构体，以及其药用可接受盐和溶剂合物，用于预防和治疗人类的哮喘和其他炎症性疾病和/或情况的过程和反应中间体，以及它们的使用。
• First Example of Ionic Liquids-Promoted Domino Knoevenagel Hetero-Diels-Alder Reactions: A Facile Synthesis of Pyrano[3,2-<i>c</i>]coumarins
  作者：J. Yadav、B. Reddy、V. Naveenkumar、R. Rao、K. Nagaiah

  DOI：10.1055/s-2003-829140

  日期：——

  O-Prenylated aromatic aldehydes undergo smooth intramolecular domino Knoevenagel hetero-Diels-Alder reactions with 4-hydroxycoumarins in the air- and moisture-stable ionic liquid [bmim[BF 4 under mild conditions to afforda novel class of cis-annulated pyranocoumarins in high yields. The recovered ionic liquid can be reused in successive runs with consistent activity.

  O-异戊二烯化芳香醛在空气和水分稳定的离子液体 [bmim[BF 4 . 回收的离子液体可以在具有一致活性的连续运行中重复使用。
• Substituted furochromene compounds of antiinflammatory action
  申请人：Mercep Mladen

  公开号：US20060148890A1

  公开（公告）日：2006-07-06

  The present invention relates to novel compounds of the formula (I) including all stereoisomers and tautomers thereof, to the pharmaceutically acceptable salts and solvates thereof, to the processes and reactive intermediates for their preparation and to their use in the prophylaxis and treatment of asthma and other inflammatory diesases and/or conditions in humans.

  本发明涉及式（I）的新化合物，包括其所有立体异构体和互变异构体、药学上可接受的盐和溶剂合物，以及其制备过程和反应中间体，以及它们在预防和治疗人类哮喘和其他炎症性疾病和/或病况中的用途。
• Aromatic derivatives substituted by a ribose, their preparation process
  申请人：Hoechst Marion Roussel

  公开号：US05968939A1

  公开（公告）日：1999-10-19

  A subject of the invention is the compounds of formula (I): ##STR1## having antibiotic properties.

  本发明的主题是具有抗生素性质的式（I）化合物：##STR1##