1-苯并呋喃-2,3-二醇 | 163463-62-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 中文名称: 1-苯并呋喃-2,3-二醇
• 英文名称: 1-Benzofuran-2,3-diol
• CAS: 163463-62-5
• 化学式: C₈H₆O₃
• 分子量: 150.13
• InChiKey: DNDWXJDUTDZBNV-UHFFFAOYSA-N

物化性质

• 沸点：
  310.3±22.0 °C(Predicted)
• 密度：
  1.454±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES
  申请人：Martineau Louis C.

  公开号：US20140135359A1

  公开（公告）日：2014-05-15

  The present invention provides a computer-assisted method of generating a protonophore requiring the use of a computer including a processor. The method includes: designing the protonophore, calculating, using the processor, an estimated protonophoric activity; producing the protonophore if the estimated protonophoric activity corresponds to an U 50 of about 20 μM or less; and determining the uncoupling activity of the protonophore. The present invention also provides novel protonophores that meet the above requirement and their methods of use.

  本发明提供了一种利用计算机辅助的方法来生成需要使用处理器的质子载体。该方法包括：设计质子载体，使用处理器计算估计的质子载体活性；如果估计的质子载体活性对应于大约20微米或更少的U50，则生产质子载体；并确定质子载体的解耦活性。本发明还提供了符合上述要求的新型质子载体及其使用方法。
• INHIBITORS OF SERINE PROTEASES
  申请人：Cottrell Kevin M.

  公开号：US20110182856A1

  公开（公告）日：2011-07-28

  The present invention relates to compounds of formula (I): or a pharmaceutically acceptable salt thereof. These compounds inhibit serine protease, particularly the hepatitis C virus NS3-NS4A protease.

  本发明涉及式(I)化合物或其药学上可接受的盐。这些化合物抑制丝氨酸蛋白酶，特别是丙型肝炎病毒NS3-NS4A蛋白酶。
• Process for preparing substituted 2,3-dihydrobenzofuran
  申请人：ENICHIMICA SECONDARIA S.p.A.

  公开号：EP0127208A1

  公开（公告）日：1984-12-05

  Preparation of substituted 2,3-dihydrobenzofuran which can be defined by the general formula: wherein; Ra is hydrogen, halogen, or an alkyl radical, straight lined or branched containing from 1 to 4 carbon atoms, aryl, alkaryl, -OH, -OR3, -N(Ra)2, (Rabeing, in its turn, an alkyl' radical, straight lined or branched containing from 1 to 4 carbon atoms); Rb is an alkyl radical, straight lined or branched containing from 1 to 6 carbon atoms, aryl or alkaryl; Rc is hydrogen or has the same meaning as Rb; by rearrangement of 1,1-bis(2-hydroxybenzene)alkyl and/or aryl-ethane, which can be defined by the general formula: wherein Ra, Rb and Rc have the above specified meanings, working in the presence of catalytic amounts of at least a mineral or an organic acidic compound, at a high temperature and withdrawing from the reaction mass the products of the rearrangement reactions they are being formed. The 1,1-bis(2-hydroxybenzene)alkyl and/or arylethane are obtained starting from substituted phenols and aldehydes under the influence of specially provided catalysts. Within the scope of this reaction, 1,1-bis(2,3-dihydroxybenzene)alkyl or aryl-methane are found, which can be defined by the general formula: wherein: R is an alkyl radical, straight lined or branched, containing from 1 to 20 carbon atoms, or an aryl radical; R1, R2 and R3 are equal to or different from each other and represent: H, halogen, or the alkyl radical, straight lined or branched, containing from 1 to 4 carbon atoms, aryl, alkaryl, -OH, -OR4,-N(R4)2, R4 being an alkyl radical, straight lined or branched. containing from 1 to 4 carbon atoms. Such compounds are obtained by reaction of a biphenol which can be defined by the general formula: with an aldehyde which can be defined by the general formula wherein R, R,, R2 and R3 have the meanings specified hereinabove, working in the presanca of catalytic amounts of at least one compound, which is a member selected from the group consisting of oxides, hydroxides, alcoholates and carboxylates of the metals belonging to the IA, IIA, IIB and VIIB of the Periodic System of the Eiements, in the presence, or not, of a liquid and inert (i.e. nonreactive) organic solvent, the water being fowned as a reaction byproduct being optionally withdrawn as it is formed.

  制备取代的2,3-二氢苯并呋喃，其通式定义如下 其中；Ra 是氢、卤素、或含有 1 至 4 个碳原子的直链或支链烷基、芳基、烷芳基、-OH、-OR3、-N(Ra)2，（Rabeing 则是含有 1 至 4 个碳原子的直链或支链烷基）； Rb 是含有 1 至 6 个碳原子的直链或支链烷基、芳基或烷芳基； Rc 是氢或与 Rb 具有相同的含义；通过对 1,1-双（2-羟基苯）烷基和/或芳基乙烷进行重排，可按通式定义： 其中 Ra、Rb 和 Rc 具有上述特定含义，在催化量至少为矿物或有机酸化合物存在下，在高 温下进行，并从反应物团中抽出正在形成的重排反应产物。 在专门提供的催化剂作用下，可以从取代的苯酚和醛中获得 1,1-双（2-羟基苯）烷基和/或芳基乙烷。 在该反应的范围内，可以发现 1,1-双（2,3-二羟基苯）烷基或芳基甲烷，它们可以用通式来定义： 其中R 是含有 1 至 20 个碳原子的直链或支链烷基或芳基； R1、R2 和 R3 相等或互不相同，并代表：H、卤素或含有 1 至 4 个碳原子的直链或支链烷基、芳基、烷芳基、-OH、-OR4、-N(R4)2，其中 R4 为含有 1 至 4 个碳原子的直链或支链烷基。 此类化合物是由通式中定义的双酚与醛反应得到的： 与醛反应而得，醛的定义见通式 其中 R、R、R2 和 R3 的含义如上文所述，在催化剂的作用下，在液体和惰性（即非 反应性）有机溶剂存在或不存在的情况下，至少使用一种化合物，该化合物选自由元素周期 系 IA、IIA、IIB 和 VIIB 金属的氧化物、氢氧化物、醇酸盐和羧酸盐组成的组。在有或没有液体和惰性（即非反应性）有机溶剂存在的情况下，生成的水作为反应副产物被抽出。
• Pharmaceutical oxan preparation
  申请人：——

  公开号：US20040022834A1

  公开（公告）日：2004-02-05

  The invention concerns a topical pharmaceutical preparation, characterized in that it consists of the combination of an oxan and a pharmaceutically acceptable excipient for transdermal delivery of said oxan.

  本发明涉及一种外用药物制剂，其特征在于它由一种氧杂蒽和一种药学上可接受的赋形剂组合而成，用于透皮给药所述氧杂蒽。
• A METHOD OF CHARACTERIZING PHYTOCHEMICALS FROM TRIGONELLA FOENUM GRACEUM
  申请人：Avesthagen Limited

  公开号：EP2417446A1

  公开（公告）日：2012-02-15