2-溴-3-氯-4-羟基-5-甲氧基苯甲醛 | 90004-83-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-溴-3-氯-4-羟基-5-甲氧基苯甲醛
• 英文名称: 2-bromo-3-chloro-4-hydroxy-5-methoxy-benzaldehyde
• 英文别名: 2-Brom-3-chlor-4-hydroxy-5-methoxy-benzaldehyd；2-Bromo-3-chloro-4-hydroxy-5-methoxybenzaldehyde
• CAS: 90004-83-4
• 化学式: C₈H₆BrClO₃
• 分子量: 265.491
• InChiKey: HQOHSCYWUXNDDY-UHFFFAOYSA-N

物化性质

• 沸点：
  335.6±37.0 °C(Predicted)
• 密度：
  1.750±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2913000090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  2-溴-3-氯-4-羟基-5-甲氧基苯甲醛 生成 2-bromo-3-chloro-4-hydroxy-5-methoxy-benzaldehyde-oxime
  参考文献：
  名称：

  Preparation of Substituted Vanillic Acids

  摘要：

  DOI：

  10.1021/ja01331a062
• 作为产物：
  描述：

  6-溴香兰素 在 氯仿 、 氯 作用下， 生成 2-溴-3-氯-4-羟基-5-甲氧基苯甲醛
  参考文献：
  名称：

  THE CHLORINE DERIVATIVES OF VANILLIN AND SOME OF THEIR REACTIONS

  摘要：

  DOI：

  10.1021/ja01374a061

文献信息

• Cephem compounds, and antibacterial agents
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US05244892A1

  公开（公告）日：1993-09-14

  Novel cephem compounds represented by a formula [I] and pharmacologically admissible salts or capable of physiologically hydrolyzable nontoxic esters thereof are disclosed. ##STR1## [wherein R.sup.1 indicates a straight-chain or branched lower alkyl group, which may be substituted by carboxyl group which may be protected, trityl group, hydrogen atom or fluorine-substituted lower alkyl group, R.sup.2 indicates a hydrogen atom, metal atom, protective group for carboxyl group or ester residue producible hydrolyzable ester in vivo, R.sup.3, R.sup.4, R.sup.5 and R.sup.6, which may be identical or different, indicate hydrogen atoms, halogen atoms, straight-chain or branched lower alkyl groups, which may be substituted, mercapto groups, which may be substituted, lower alkylamino groups, hydroxyl groups, which may be protected, lower alkoxy groups, lower alkanoyl groups, lower alkoxycarbonyl groups, or lower alkylenedioxy groups, which may be substituted, being maybe formed with R.sup.3 and R.sup.4, R.sup.7 indicates a hydrogen atom, cyano group, halogen atom or COOR.sup.8 (R.sup.8 is hydrogen or lower alkyl group), R.sup.9 indicates an amino group, which may be protected, Z indicates N or CH, and n indicates 0 or 1]. Preparation processes for them and antibacterial agents containing them as effective ingredients are also claimed.

  本发明揭示了由公式[I]表示的新型头孢菌素化合物及其药理学上可接受的盐或能够生理水解的无毒酯。其中，R1表示直链或支链低级烷基，其可以被羧基保护，三苯甲基基团，氢原子或氟代低级烷基取代；R2表示氢原子，金属原子，羧基保护基或能够在体内产生可水解酯基的酯残基；R3，R4，R5和R6可以相同也可以不同，表示氢原子，卤原子，直链或支链低级烷基，其可以被取代，可取代的巯基，低级烷基氨基，羟基，其可以被保护的低级烷氧基，低级烷酰基，低级烷氧羰基，或可取代的低级烷二氧基基团，可以与R3和R4一起形成；R7表示氢原子，氰基，卤原子或COOR8（R8为氢或低级烷基）；R9表示氨基，其可以被保护；Z表示N或CH；n表示0或1。本发明还声明了其制备过程以及含有其作为有效成分的抗菌剂。
• Novel cephem compounds, their preparation processes and antibacterial agents
  申请人：KYORIN PHARMACEUTICAL CO., LTD.

  公开号：EP0481441A2

  公开（公告）日：1992-04-22

  Novel cephem compounds represented by a formula [I] and pharmacologically admissible salts or capable of physiologically hydrolyzable nontoxic esters thereof are disclosed. [wherein R1 indicates a straight-chain or branched lower alkyl group, which may be substituted by carboxyl group which may be protected, trityl group, hydrogen atom or fluorine-substituted lower alkyl group, R2 indicates a hydrogen atom, metal atom, protective group for carboxyl group or ester residue producible hydrolyzable ester in vivo, R3, R4, R5 and R6, which may be identical or different, indicate hydrogen atoms, halogen atoms, straight-chain or branched lower alkyl groups, which may be substituted, mercapto groups, which may be substituted, lower alkylamino groups, hydroxyl groups, which may be protected, lower alkoxy groups, lower alkanoyl groups, lower alkoxycarbonyl groups, or lower alkylenedioxy group, which may be substituted, being maybe formed with R3 and R4, R7 indicates a hydrogen atom, cyano group, halogen atom or COOR8 (R8 is hydrogen or lower alkyl group), R9 indicates an amino group, which may be protected, Z indicates N or CH, and n indicates 0 or 1]. Preparation processes for them and antibacterial agents containing them as effective ingredients are also claimed.

  本发明公开了由式[I]表示的新型头孢菌素化合物及其药理上可接受的盐或生理上可水解的无毒酯。 [其中 R1 表示直链或支链低级烷基，可被羧基（可被保护的羧基）、三烷基、氢原子或氟取代的低级烷基取代；R2 表示氢原子、金属原子、羧基的保护基团或可在体内产生水解酯的酯残基；R3、R4、R5 和 R6 表示氢原子、卤素原子、直链或支链低级烷基（可被取代）、巯基（可被保护的巯基）、氢原子、金属原子、羧基的保护基团或可在体内产生水解酯的酯残基；R3、R4、R5 和 R6 可以相同或不同，表示氢原子、卤素原子、直链或支链低级烷基、R7 表示氢原子、氰基、卤素原子或 COOR8（R8 为氢或低级烷基），R9 表示氨基（可被保护），Z 表示 N 或 CH，n 表示 0 或 1]。 此外，还要求提供它们的制备工艺和含有它们作为有效成分的抗菌剂。
• cGAS antagonist compounds
  申请人：ImmuneSensor Therapeutics, Inc.

  公开号：US10947206B2

  公开（公告）日：2021-03-16

  Disclosed are novel compounds of Formula I that are cGAS antagonists, methods of preparation of the compounds, pharmaceutical compositions comprising the compounds, and their use in medical therapy.

  所公开的是作为 cGAS 拮抗剂的新型式 I 化合物、该化合物的制备方法、包含该化合物的药物组合物及其在医学治疗中的用途。
• CHLORINE SUBSTITUTION PRODUCTS OF VERATRALDEHYDE, VERATRIC ACID, AND RELATED COMPOUNDS
  作者：L. CHAS. RAIFORD、DON E. FLOYD

  DOI：10.1021/jo01192a009

  日期：1943.7
• US5244892A
  申请人：——

  公开号：US5244892A

  公开（公告）日：1993-09-14