t-butyl 7-bromomethyl-2,2-dimethylbenzodioxol-4-carboxylate | 117396-72-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: t-butyl 7-bromomethyl-2,2-dimethylbenzodioxol-4-carboxylate
• 英文别名: Tert-butyl 7-(bromomethyl)-2,2-dimethyl-1,3-benzodioxole-4-carboxylate
• CAS: 117396-72-2
• 化学式: C₁₅H₁₉BrO₄
• 分子量: 343.217
• InChiKey: VHDDGYBQCWVQPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  t-butyl 7-bromomethyl-2,2-dimethylbenzodioxol-4-carboxylate 生成 tert-butyl 2,2-dimethyl-7-[(3-oxo-1H-isoindol-2-yl)oxymethyl]-1,3-benzodioxole-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：

  t-butyl 2,2,7-trimethylbenzodioxol-4-carboxylate 生成 t-butyl 7-bromomethyl-2,2-dimethylbenzodioxol-4-carboxylate
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• 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。
• US4880798A
  申请人：——

  公开号：US4880798A

  公开（公告）日：1989-11-14