5-hydroxy-2-methyl-2,3-dihydrobenzofuran | 111580-01-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 5-hydroxy-2-methyl-2,3-dihydrobenzofuran
• 英文别名: 2-methyl-2,3-dihydro-benzofuran-5-ol；2,3-Dihydro-5-hydroxy-2-methylbenzofuran；5-Hydroxy-2-methyl-cumaran (5-Hydroxy-2-methyl-2,3-dihydro-benzofuran)；2-Methyl-2,3-dihydro-1-benzofuran-5-ol
• CAS: 111580-01-9
• 化学式: C₉H₁₀O₂
• 分子量: 150.177
• InChiKey: MCNGSWCPJVSXDN-UHFFFAOYSA-N

物化性质

• 熔点：
  96 °C(Solv: ligroine (8032-32-4))
• 沸点：
  285.3±29.0 °C(Predicted)
• 密度：
  1.173±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  5-hydroxy-2-methyl-2,3-dihydrobenzofuran 、 (N,N-diethylaminomethyl) dodecyl sulfide 以 溶剂黄146 为溶剂， 反应 2.0h， 生成 4,6-bis(dodecylthiomethyl)-5-hydroxy-2-methyl-2,3-dihydrobenzofuran
  参考文献：
  名称：

  Synthesis and antioxidant activity of 5-hydroxycoumarans, 6-hydroxychromanes and sulfur-containing derivatives on their base

  摘要：

  通过中间体2-丙烯基-4-烷氧基苯酚的制备，基于甲基酚成功合成了5-羟基香豆素、6-羟基克罗莫烯及其十二烷硫基甲基取代衍生物。合成的含硫化合物表现出作为甲基油酸自氧化抑制剂的高效性。

  DOI：

  10.1007/s11172-013-0200-4
• 作为产物：
  描述：

  2-烯丙基苯-1,4-二醇 在 1,4-二氧六环 、 氢溴酸 作用下， 生成 5-hydroxy-2-methyl-2,3-dihydrobenzofuran
  参考文献：
  名称：

  The Chemistry of Vitamin E. XXIII. A New Synthesis of 2,4,6,7-Tetramethyl-5-hydroxycoumaran and of 2-Methyl-5-hydroxycoumaran. Oxidation Products of the Tetramethylcoumaran¹

  摘要：

  DOI：

  10.1021/ja01864a064

文献信息

• Aromatic urea derivatives and their use as herbicide
  申请人：Mitsui Petrochemical Industries, Ltd.

  公开号：US04838924A1

  公开（公告）日：1989-06-13

  This invention relates to novel compounds of formula [I], a process for their production, and their use as a herbicide. ##STR1## wherein A represents the bond ##STR2## in which X is a hydrogen atom, a chlorine atom, a nitro group or a trifluoromethyl group; B represents a hydrogen atom, a methyl group or a methoxy group; and Ar represents one member selected from the group consisting of ##STR3## in which R.sup.1 to R.sup.38, are as defined hereinafter.

  这项发明涉及公式[I]的新化合物，其生产过程以及它们作为除草剂的用途。其中A代表键##STR2##其中X是氢原子、氯原子、硝基团或三氟甲基基团；B代表氢原子、甲基基团或甲氧基基团；Ar代表从##STR3##中选择的一个成员，其中R.sup.1到R.sup.38如下所定义。
• 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。
• 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。
• 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1555267B1

  公开（公告）日：2013-01-16