2H-chromen-5-ol | 70371-57-2

• 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: 2H-chromen-5-ol
• CAS: 70371-57-2
• 化学式: C₉H₈O₂
• mdl: MFCD18451005
• 分子量: 148.161
• InChiKey: UNVNVCMGCFNMQD-UHFFFAOYSA-N

物化性质

• 沸点：
  281.6±40.0 °C(Predicted)
• 密度：
  1.244±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：
  0.111
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2H-chromen-5-ol 在 potassium hydride 、 对甲苯磺酸 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 2-(2H-chromen-5-yloxy)ethanol
  参考文献：
  名称：

  Olefins Turned Alkylating Agents:  Diastereoselective Intramolecular Zr-Catalyzed Olefin Alkylations

  摘要：

  The first examples of intramolecular Zr-catalyzed electrophilic alkylation of aryl olefins are disclosed. Substituted carbo- and heterocycles are prepared efficiently and diastereoselectively.

  DOI：

  10.1021/ol017090c
• 作为产物：
  描述：

  5-benzoyloxy-2H-chromene 生成 2H-chromen-5-ol
  参考文献：
  名称：

  BOX V. G. S.; BURKE B. A.; MCCAW C., HETEROCYCLES, 1979, 12, NO 4, 451-452

  摘要：

  DOI：

文献信息

• Intramolecular Hydroarylation of Alkynes Catalyzed by Platinum or Gold: Mechanism andendo Selectivity
  作者：Cristina Nevado、Antonio M. Echavarren

  DOI：10.1002/chem.200401069

  日期：2005.1

  The cyclization of differently substituted aryl alkynes with PtII or AuI catalysts proceeds by endo-dig pathways. When AgI was used to generate reactive cationic AuI catalysts, 2H-chromenes dimerize to form cyclobutane derivatives by a AgI-catalyzed process. A DFT study on the cyclization mechanism shows a kinetic and thermodynamic preference for 6-endo-dig versus 5-exo-dig cyclizations in PtII-catalyzed

  PtII或AuI催化剂对不同取代的芳基炔烃的环化作用是通过内挖途径进行的。当使用AgI生成反应性阳离子AuI催化剂时，2H-色烯通过AgI催化过程二聚形成环丁烷衍生物。DFT对环化机理的研究表明，在PtII催化的过程中，动力学上和热力学上偏爱6-内切与5-外切。计算表明，尽管Friedel-Crafts和通过金属环丙基碳烯的环丙烷化过程显示出非常相似的活化能，但是铂环丙基碳烯是能量最低的固定点。
• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速细菌具有优异的杀菌作用。
• Polyalkylhydroxychromene and process for preparing the same
  申请人：MITSUI PETROCHEMICAL INDUSTRIES, LTD.

  公开号：EP0021827A1

  公开（公告）日：1981-01-07

  A compound of the formula (1) wherein R1 and R5 each represents an alkyl group having 1 to3 3 carbon atoms; R2, R3 and R4 each represents a hydrogen atom or an alkyl group having 1 to 3 carbon atoms and wherein the bonding at the 2-3 position is a single bond and that at the 3-4 position is a double when the substitution of hydroxy group is at the 5-position or the bonding at the 2-3 position is a double bond and that at the 3-4 position is a single bond when the substitution of hydroxy group is at the 7-position:; with the proviso that R2 and R4 should not be a hydrogen atom or an alkyl group simultaneously. Such a compound can be prepared by reacting resorcinol with an aliphatic ketone or a tertiary alcohol or by thermally decomposing polyalkyl (2, 4 - dihydroxyphenyl) hydroxychroman. The compound is useful as a herbicide and fungicide and as an intermediate for preparing agricultural chemicals.

  式（1）的化合物 其中 R1 和 R5 各代表一个具有 1 至 3 个碳原子的烷基；R2、R3 和 R4 各代表一个氢原子或一个具有 1 至 3 个碳原子的烷基；当羟基的取代位于 5 位时，2-3 位的键合是单键，3-4 位的键合是双键；当羟基的取代位于 7 位时，2-3 位的键合是双键，3-4 位的键合是单键：但 R2 和 R4 不能同时为氢原子或烷基。这种化合物可以通过间苯二酚与脂肪族酮或叔醇反应，或通过热分解多烷基（2，4-二羟基苯基）羟基苯并吡喃来制备。该化合物可用作除草剂和杀真菌剂，以及制备农药的中间体。
• 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1555267A1

  公开（公告）日：2005-07-20

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group -OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and -(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and a typical acid-fast bacteria.

  本发明提供了由以下通式代表的 2，3-二氢-6-硝基咪唑并[2，1-b]恶唑化合物： 其中R1代表氢原子或C1-C6烷基，n代表0至6的整数，R2代表基团-OR3或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或者R1和-(CH2)nR2可以通过氮原子与相邻的碳原子相互结合，从而形成通式(H)代表的螺环： 其中 R41 为氢、C1-C6 烷基或类似基团。本化合物对结核分枝杆菌、多重耐药结核分枝杆菌和典型的耐酸细菌有很好的杀菌作用。
• 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP2570418A2

  公开（公告）日：2013-03-20

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group -OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and -(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria.

  本发明提供了一种由以下通式表示的 2,3-二氢-6-硝基咪唑并[2,1-b]恶唑化合物： 其中R1代表氢原子或C1-C6烷基，n代表0至6的整数，R2代表基团-OR3或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或者R1和-(CH2)nR2可以通过氮原子与相邻的碳原子相互结合，从而形成通式(H)代表的螺环： 其中 R41 为氢、C1-C6 烷基或类似基团。本化合物对结核分枝杆菌、多重耐药结核分枝杆菌和非典型耐酸菌有很好的杀菌作用。