methyl 2,3-dihydroxy-6-methyl benzoate | 98201-66-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: methyl 2,3-dihydroxy-6-methyl benzoate
• 英文别名: Benzoic acid, 2,3-dihydroxy-6-methyl-, methyl ester；methyl 2,3-dihydroxy-6-methylbenzoate
• CAS: 98201-66-2
• 化学式: C₉H₁₀O₄
• 分子量: 182.176
• InChiKey: BSPUCDOBUVXMQH-UHFFFAOYSA-N

物化性质

• 沸点：
  300.7±37.0 °C(Predicted)
• 密度：
  1.296±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 2,3-dihydroxy-6-methyl benzoate 生成 methyl 2,2,5-trimethylbenzodioxol-4-carboxylate
  参考文献：
  名称：

  KATO, KADZUO;MURAKAMI, NIXIRO;SUDZUKI, XIDEHNORI;MOTIDA, XIDEH

  摘要：

  DOI：
• 作为产物：
  描述：

  Methyl 6-formyl-2,3-(methylenedioxy)benzoate 在 palladium on activated charcoal aluminum tri-bromide 、 氢气 作用下， 以 甲醇 、 溶剂黄146 、 乙硫醇 为溶剂， 反应 10.0h， 生成 methyl 2,3-dihydroxy-6-methyl benzoate
  参考文献：
  名称：

  Synthesis of the aromatic unit of calicheamicin γ1I

  摘要：

  香兰素和胡椒醛分别转化为 2,3-二甲氧基-6-甲基-4-(丙-2-烯基)苯甲酸甲酯 12，然后再转化为 4-羟基-3-碘-5,6-二甲氧基-2-甲基苯甲酸甲酯 24，后者代表了钙华素 δ³1I 的芳香单元。

  DOI：

  10.1039/a605837j

文献信息

• Cephalosporin derivatives
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US04880798A1

  公开（公告）日：1989-11-14

  The present invention relates to novel cephalosporin derivatives, processes for preparing thereof, compositions for preventing and/or treating infectious diseases which comprise the novel cephalosporin derivatives as active components, and the intermediate compounds in the synthesis of cephalosporin derivatives and processes for producing thereof. The present invention is based on the selection of groups containing a condensed heterocyclic ring, particularly a triazolopyrimidine ring, as substitutents at the 3-position of the cephem skeleton, and of groups containing a carboxyl and hydroxy substituted phenylmethyloxyimino moiety, particularly a (carboxy substituted catechol)methyloxyimino moiety, as substituents at the 7-position of the cephem skeleton. The compounds of the present invention containing the aforementioned substituents have a strong antibacterial activity against Gram-negative bacteria and also against Gram-positive bacteria including methicillin-resistant Staphylococcus aureus. These compounds are extremely useful for the treatment of infectious diseases.

  本发明涉及新型头孢菌素衍生物、其制备过程、用作活性成分预防和/或治疗传染病的组合物，以及头孢菌素衍生物合成中的中间化合物和其生产过程。本发明基于在头孢菌素骨架的3位选择含有紧缩杂环环，特别是三唑嘧啶环的取代基，以及在头孢菌素骨架的7位选择含有羧基和羟基取代的苯甲氧基亚胺基团，特别是含有（羧基取代的邻苯二酚）甲氧基亚胺基团的取代基。本发明中含有上述取代基的化合物对革兰氏阴性菌和包括耐甲氧西林金黄色葡萄球菌在内的革兰氏阳性菌具有强烈的抗菌活性。这些化合物对于治疗传染病非常有用。
• Cephalosporin derivatives, processes for the preparation of the same, intermediates for use in the synthesis of the same, pharmaceutical compositions comprisingthe same, and the use of the same for the manufacture of a medicament having valuable therapeutic and preventative properties
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP0269087A2

  公开（公告）日：1988-06-01

  The present invention relates to cephalosporin derivatives, processes for the preparation thereof, pharmaceutical compositions comprising such derivatives, compounds for use as intermediates in the synthesis of such derivatives and processes for producing thereof, and the use of such derivatives for the manufacture of a medicament having valuable therapeutic and preventative properties. The present invention is based on the selection of groups containing a condensed heterocyclic ring, particularly a triazolopyrimidine ring, as substituents at the 3-position of the cephem skeleton, and of groups containing a carboxy and hydroxy substituted phenylmethyloxyimino moiety, particularly a (carboxy substituted catechol)methyloxyimino moiety, as substituents at the 7-position of the cephem skeleton. The compounds of the present invention containing the aforementioned substituents have a strong antibacterial activity against Gram-negative bacteria and also against Gram-positive bacteria including methicillin-resistant Staphylococcus aureus. These compounds are extremely useful for the treatment of infectious diseases.

  本发明涉及头孢菌素衍生物、其制备工艺、包含此类衍生物的药物组合物、用作合成此类衍生物的中间体的化合物及其生产工艺，以及使用此类衍生物制造具有重要治疗和预防特性的药物。 本发明的基础是选择含有缩合杂环（特别是三唑并嘧啶环）的基团作为头孢骨架 3 位的取代基，并选择含有羧基和羟基取代的苯基甲氧基亚氨基（特别是（羧基取代的儿茶酚）甲氧基亚氨基）的基团作为头孢骨架 7 位的取代基。 含有上述取代基的本发明化合物对革兰氏阴性菌和革兰氏阳性菌（包括耐甲氧西林金黄色葡萄球菌）具有很强的抗菌活性。这些化合物对治疗传染性疾病极为有用。
• KATO, KADZUO;MURAKAMI, NIXIRO;SUDZUKI, XIDEHNORI;MOTIDA, XIDEH
  作者：KATO, KADZUO、MURAKAMI, NIXIRO、SUDZUKI, XIDEHNORI、MOTIDA, XIDEH

  DOI：——

  日期：——
• US4880798A
  申请人：——

  公开号：US4880798A

  公开（公告）日：1989-11-14
• Synthesis of the aromatic unit of calicheamicin γ1I
  作者：Yong-Zhou Hu、Derrick L. J. Clive

  DOI：10.1039/a605837j

  日期：——

  Vanillin and piperonal are each converted into methyl 2,3-dimethoxy-6-methyl-4-(prop-2-enyl)benzoate 12, and this is then elaborated into methyl 4-hydroxy-3-iodo-5,6-dimethoxy-2-methylbenzoate 24, which represents the aromatic unit of calicheamicin γ1I.

  香兰素和胡椒醛分别转化为 2,3-二甲氧基-6-甲基-4-(丙-2-烯基)苯甲酸甲酯 12，然后再转化为 4-羟基-3-碘-5,6-二甲氧基-2-甲基苯甲酸甲酯 24，后者代表了钙华素 δ³1I 的芳香单元。