6-fluoro-4-methyl-2H-chromen-2-one | 104325-92-0

• 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: 6-fluoro-4-methyl-2H-chromen-2-one
• 英文别名: 6-Fluoro-4methylcoumarin；6-fluoro-4-methylchromen-2-one
• CAS: 104325-92-0
• 化学式: C₁₀H₇FO₂
• 分子量: 178.163
• InChiKey: RKLKOHCQMVLSSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 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：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-fluoro-4-methyl-2H-chromen-2-one 反应 45.0h， 以97.5%的产率得到syn-HH photodimer
  参考文献：
  名称：

  Unusual photodimerization of 7-fluoro-4-methylcoumarin and 6-fluoro-4-methylcoumarin in the solid state

  摘要：

  Photodimerization of 7-fluoro-4-methylcoumarin 1 is topochemical while 6-fluoro-4-methylcoumarin 2 does not lead to the expected product based on the topochemical principles. Compound 1 yield an anti-MT photodimer with a lower dimer conversion while compound 2 results in a syn-HH photodimer. The packing features of 1, 2 and 2a (the photodimer of 2) have been unequivocally established by single crystal X-ray diffraction studies. The rationale for the significant lower dimer conversion in 1 is provided. The defect induced dimerization reaction in 2 as a function of temperature is analyzed which verifies that the reaction proceeds with an induction period. The details of the interactions involving fluorine are analyzed. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00656-5
• 作为产物：
  描述：

  4-methyl-2-oxo-2H-chromen-6-yl trifluoromethanesulfonate 在 C₅₉H₇₁F₇OPPd⁽¹⁺⁾*CF₃O₃S^(1-) 、 cesium fluoride 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以157 mg的产率得到6-fluoro-4-methyl-2H-chromen-2-one
  参考文献：
  名称：

  氧化加成络合物作为需要极大体积的联芳基膦配体的交叉偶联反应的前催化剂

  摘要：

  在本报告中，我们描述了基于钯的氧化加成配合物（OAC）作为C–N，C–O和C–F与多种（杂）芳烃交叉偶联反应的有效预催化剂的应用。这些配合物为先前开发的类别的预催化剂提供了一种方便的替代方法，特别是在体积最大的联芳基膦配体的情况下，基于这些化合物不容易形成基于Palladacycle的预催化剂。本文所述的预催化剂易于制备并且对于在空气中长期储存稳定。

  DOI：

  10.1021/acs.orglett.7b01082

文献信息

• [EN] ANTIBACTERIAL COMPOUNDS HAVING BROAD SPECTRUM OF ACTIVITY<br/>[FR] COMPOSÉS ANTIBACTÉRIENS À LARGE SPECTRE D'ACTIVITÉ
  申请人：ACRAF

  公开号：WO2016096686A1

  公开（公告）日：2016-06-23

  The present invention relates to novel antibacterial compounds, pharmaceutical compositions containing them and their use as antimicrobials.

  本发明涉及新型抗菌化合物，含有它们的药物组合物以及它们作为抗微生物药物的用途。
• [EN] NEW ANTIBACTERIAL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS ANTIBACTÉRIENS
  申请人：ACRAF

  公开号：WO2017211759A1

  公开（公告）日：2017-12-14

  The present invention relates to novel antibacterial compounds, pharmaceutical compositions containing them and their use as antimicrobials.

  这项发明涉及新型抗菌化合物，含有它们的药物组合物以及它们作为抗微生物药物的用途。
• Fluoro coumarins as antilymphoedema agents
  申请人：Boehringer Biochemia Robin Spa

  公开号：US04749798A1

  公开（公告）日：1988-06-07

  A compound of the formula ##STR1## wherein hydrogen, fluorine, chlorine or bromine; B is fluorine, or when A is fluorine B may be hydrogen; R is hydrogen, C.sub.1 -C.sub.8 branched or unbranched alkyl, CH.sub.2 BR, CH.sub.2 Cl or substituted or unsubstituted phenyl; X is hydrogen, chlorine or bromine; one of R.sub.1 and R.sub.2 is hydrogen and the other is hydroxy or C.sub.1 -C.sub.7 branched or unbranched alkoxy unsubstituted or substituted by a dialkyl amino group, or R.sub.1 and R.sub.2, taken together with the carbon atom to which they are linked, form the group ##STR2## with the proviso that, when R and X are both hydrogen, ##STR3## is a ##STR4## group, and B is fluorine and A is hydrogen is useful as antilimphoedema agent.

  化合物的公式为 ##STR1## 其中A为氢、氟、氯或溴；B为氟，当A为氟时，B可能是氢；R为氢、C.sub.1-C.sub.8支链或直链烷基、CH.sub.2BR、CH.sub.2Cl或取代或未取代的苯基；X为氢、氯或溴；R.sub.1和R.sub.2中的一个为氢，另一个为羟基或C.sub.1-C.sub.7支链或直链烷氧基，未取代或取代为二烷基氨基的，或R.sub.1和R.sub.2与它们连接的碳原子形成##STR2##的基团，但当R和X都为氢时，##STR3##是##STR4##基团，且当B为氟且A为氢时，可用作抗淋巴水肿剂。
• Antibacterial compounds having broad spectrum of activity
  申请人：AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A.

  公开号：US10221144B2

  公开（公告）日：2019-03-05

  The present invention relates to novel antibacterial compounds, pharmaceutical compositions containing them and their use as antimicrobials.

  本发明涉及新型抗菌化合物、含有这些化合物的药物组合物及其作为抗菌剂的用途。
• Antibacterial compounds
  申请人：AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A.

  公开号：US10633366B2

  公开（公告）日：2020-04-28

  The present invention relates to novel antibacterial compounds (1) as defined below, pharmaceutical compositions containing them and their use as antimicrobials. A compound of formula (1): A-L1-Y-L2-R—B, wherein A is a cyclic group having one of the following formulae (I), (II) and (III), and wherein B is cyclic group having one of the following formulae (IV) to (IX).

  本发明涉及如下定义的新型抗菌化合物(1)、含有它们的药物组合物及其作为抗菌剂的用途。式（1）化合物：A-L1-Y-L2-R-B，其中 A 是具有下式(I)、(II)和(III)之一的环状基团，B 是具有下式(IV)至(IX)之一的环状基团。