6-(3,7-dimethyl-octa-2ξ,6-dienyl)-7-hydroxy-coumarin | 13319-09-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 6-(3,7-dimethyl-octa-2ξ,6-dienyl)-7-hydroxy-coumarin
• 英文别名: 6-(3,7-Dimethyl-octa-2ξ,6-dienyl)-7-hydroxy-cumarin；Ostruthin；6-(3,7-Dimethylocta-2,6-dienyl)-7-hydroxychromen-2-one
• CAS: 13319-09-0
• 化学式: C₁₉H₂₂O₃
• 分子量: 298.382
• InChiKey: INBMTJJPUABOQJ-UHFFFAOYSA-N

物化性质

• 沸点：
  485.3±45.0 °C(Predicted)
• 密度：
  1.116±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(3,7-dimethyl-octa-2ξ,6-dienyl)-7-hydroxy-coumarin 在 硫酸 、 溶剂黄146 作用下， 生成 7,7,10a-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-pyrano[3,2-b]xanthen-2-one
  参考文献：
  名称：

  维萨米诺斯宫

  摘要：

  维米诺尔死刑院（IV），阿米·维斯纳加湖（Chromons aus ammi visnaga L.）死于呋喃色酮无水维他命醇（VIII）的säurekatalysierteWasserabspaltung lieferte和Lauge Aceton和2-异丙基-4,6-二羟基-聚马来酸酐的混合物。无水维他命米诺尔甲基（IX）糊状2-异丙基-4-甲氧基-5-乙酰基-6-乙氧基-聚马仑酮，Visnagin bereiten所在。Durch Laugespaltung gefolgt von Methylierung接受Visamminol（IV）（+）-2-Hydroxy-isopropyl-4,6-dimethoxy-cumaran，das sich auf Grund des IR.-Spektrums mit aus2-γ，γ-Dimethylallyl-3， 5-二甲氧基苯酚合成伯利兹

  DOI：

  10.1002/hlca.19560390337

文献信息

• [EN] PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS<br/>[FR] PROCÉDÉS DE PRÉPARATION DE COMPOSÉS HYDROXY-ARYLE ORTHO-ALLYLÉS
  申请人：UNIV MCMASTER

  公开号：WO2021237371A1

  公开（公告）日：2021-12-02

  The present application describes process for preparing an ortho-allylated hydroxy aryl compounds such as compounds of Formula (I) by reacting an allylic alcohol with a hydroxy aryl compound in the presence of aluminum compound selected from alumina and aluminum alkoxides and in a non-protic solvent wherein at least one carbon atom ortho to the hydroxy group in the hydroxy aryl compound is unsubstituted. The present application also includes compounds of Formula (I).

  本申请描述了一种制备邻烯丙基羟基芳基化合物的方法，例如通过在非质子溶剂中，在氧化铝和铝烷氧化物中选择的铝化合物存在下，将烯丙醇与羟基芳基化合物反应，其中羟基芳基化合物中至少有一个碳原子位于羟基的邻位且未被取代。本申请还包括化合物的化学式（I）。
• [EN] COUMARIN COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS<br/>[FR] COMPOSÉS DE COUMARINE POUR LE TRAITEMENT D'INFECTIONS MYCOBACTÉRIENNES
  申请人：UNIV DELHI

  公开号：WO2012137224A1

  公开（公告）日：2012-10-11

  The present invention relates to method for treating mycobacterial infection/disease by administration of a therapeutically effective amount of compound of formula I.

  本发明涉及通过给予化合物I的治疗有效量来治疗分枝杆菌感染/疾病的方法。
• PREPARATION COMPRISING CHROMAN-2-ONE DERIVATIVES
  申请人：Mujica-Fernaud Teresa

  公开号：US20100291009A1

  公开（公告）日：2010-11-18

  The invention relates to preparations comprising at least one compound of the formula (I), where the substituents R 1 to R 4 have a meaning indicated in claim 1 , and salts and solvates thereof, and to the use thereof and selected compounds of the formula (I).

  该发明涉及包含至少一种式(I)化合物的制剂，其中取代基R1至R4具有权利要求1中指示的含义，以及其盐和溶剂合物，以及其用途和选择的式(I)化合物。
• ZUBEREITUNG ENTHALTEND CHROMAN-2-ON-DERIVATE
  申请人：Merck Patent GmbH

  公开号：EP2229169A1

  公开（公告）日：2010-09-22
• Compounds exhibiting efflux inhibitor activity and composition and uses thereof
  申请人：Wempe Fitzpatrick Michael

  公开号：US20070254859A1

  公开（公告）日：2007-11-01

  At least one compound chosen from compounds of Formula I: a pharmaceutically acceptable salt or ester thereof, a solvate thereof, a chelate thereof, a non-covalent complex thereof, a prodrug thereof, and mixtures of any of the foregoing, wherein: n is a number from 1 to 900, wherein the individual units may be the same or different; W is chosen from alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl; each of R 2 , R 3 , R 4 and R 5 is independently chosen from —H, alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl; Z′ is chosen from —O—, —N—, —NO—, —NR 4 —, —S—, —SO— and —SO 2 —, wherein R 4 is defined as above; each of X, X′, Y and Z is independently chosen from —CR 4 R 5 —, —NH—, —NR 4 —, —NO—, —O—, —NOR 4 —, —S—, —SO—, —SO 2 —, wherein R 4 and R 5 are defined as above; R 1 is chosen from a tocopherol, a steroid and a flavonoid; and R 6 is chosen from any R 1 , alkyl, substituted alkyl, cycloalkyl, substituted cycloalkyl, aryl, substituted aryl, aralkyl and substituted aralkyl.