methyl 4-fluoro-2-(N-methylamino)benzoate | 97954-38-6

• 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 4-fluoro-2-(N-methylamino)benzoate
• 英文别名: methyl 4-fluoro-2-methylaminobenzoate；Methyl 4-fluoro-2-(methylamino)benzoate
• CAS: 97954-38-6
• 化学式: C₉H₁₀FNO₂
• 分子量: 183.182
• InChiKey: IOSTYTUPOTYMES-UHFFFAOYSA-N

物化性质

• 沸点：
  255.2±25.0 °C(Predicted)
• 密度：
  1.213±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-fluoro-2-(N-methylamino)benzoate 生成 1-[5-fluoro-2-(methylamino)phenyl]-2-(2H-tetrazol-5-yl)ethanone
  参考文献：
  名称：

  DAVIES, R. V.;GREEN, R. D.

  摘要：

  DOI：
• 作为产物：
  描述：

  7-氟-1-甲基-2H-3,1-苯并恶嗪-2,4(1H)-二酮 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 methyl 4-fluoro-2-(N-methylamino)benzoate
  参考文献：
  名称：

  Antihypertensive 3-tetrazoyl-4-quinolones

  摘要：

  化学式I的新型喹诺酮及其药学可接受的酸盐，其中喹诺环的2和3位置之间的虚线代表可选键，R为氢，1-甲基或2-较低烷基；R.sub.1为较低烷基；R.sub.2为氢，卤素，较低烷基，较低烷氧基，三氟甲基，氰基，二氟甲氧基，甲基砜基，苯基砜基或基团--NR.sub.4 R.sub.5或其N-氧化物，其中R.sub.4和R.sub.5可以相同也可以不同，为较低烷基或者与它们连接的氮原子形成吡咯烷基，哌啶基或吗啉基；R.sub.3为氢，氟，较低烷基或较低烷氧基，但当R.sub.3为较低烷氧基时，R.sub.2不是较低烷氧基，具有作为降压药的用途。公开了制备喹诺酮和含有它们的药物组合物的方法。

  公开号：

  US04659718A1

文献信息

• Synthesis of Xanthones, Thioxanthones, and Acridones by the Coupling of Arynes and Substituted Benzoates
  作者：Jian Zhao、Richard C. Larock

  DOI：10.1021/jo0620718

  日期：2007.1.1

  The reaction of silylaryl triflates, CsF, and ortho-heteroatom-substituted benzoates affords a general and efficient way to prepare biologically interesting xanthones, thioxanthones, and acridones. This chemistry presumably proceeds by a tandem intermolecular nucleophilic coupling of the benzoate with an aryne and a subsequent intramolecular electrophilic cyclization.

  甲硅烷基芳基三氟甲磺酸酯，CsF和邻杂原子取代的苯甲酸酯的反应提供了制备生物学上有趣的氧杂蒽酮，噻吨杂蒽和a啶酮的通用且有效的方法。据推测，该化学反应是通过苯甲酸酯与芳烃的串联分子间亲核偶联和随后的分子内亲电环化而进行的。
• Quinolone sulphonamides useful as antihypertensive agents
  申请人：The Boots Company

  公开号：US04772614A1

  公开（公告）日：1988-09-20

  Quinolones with antihypertensive activity have the general formula I, ##STR1## wherein X is the residue of an optionally substituted benzene ring; R is lower alkyl; R.sub.3 is hydrogen or lower alkyl; R.sub.1 and R.sub.2, which may be the same or different, are hydrogen, lower alkyl, or, together with the nitrogen atom to which they are attached, form a 5 to 7 membered saturated heterocyclic ring optionally containing an additional hetero atom selected from nitrogen, oxygen and sulphur and optionally substituted by 1 or more lower alkyl groups; and the dotted line between positions 2 and 3 of the quinolone nucleus represents an optional bond. The compounds are useful as antihypertensive agents. They are also indicated for use in treating heart failure and ischaemic heart disease. With the exception of the three compounds 1-methyl-4-oxo-1,4-dihydroquinoline-3-sulphonamide, 1,N-dimethyl-4-oxo-1,4-dihydroquinoline-3-sulphonamide and 6,7-dimethoxyl-methyl-4-oxo-1,4-dihydroquinoline-3-sulphonamide, the quinolones of formula I are novel. Pharmaceutical compositions containing the compounds of formula I are described. Processes for preparing the novel quinolones are also described.

  具有降压活性的喹诺酮化合物具有通式I，其中X是可选择取代苯环的残基；R是较低的烷基；R.sub.3是氢或较低的烷基；R.sub.1和R.sub.2可以相同也可以不同，是氢、较低的烷基或与它们所连接的氮原子一起形成一个5到7成员的饱和杂环环，该环可以选择性地包含一个额外的氮、氧或硫杂原子，并且可以选择性地被1个或多个较低的烷基基团取代；喹诺酮核的2和3位之间的虚线表示可选键。这些化合物可用作降压药物。它们还适用于治疗心力衰竭和缺血性心脏病。除了三种化合物1-甲基-4-氧代-1,4-二氢喹啉-3-磺酰胺、1,N-二甲基-4-氧代-1,4-二氢喹啉-3-磺酰胺和6,7-二甲氧基甲基-4-氧代-1,4-二氢喹啉-3-磺酰胺外，通式I的喹诺酮是新颖的。描述了含有通式I化合物的制药组合物。还描述了制备新颖喹诺酮的过程。
• Therapeutic agents
  申请人：The Boots Company PLC

  公开号：EP0135367A1

  公开（公告）日：1985-03-27

  Novel quinolones of formula I and pharmaceutically acceptable acid addition salts thereof in which the dotted line between positions 2 and 3 of the quinolone ring represents an optional bond, R is hydrogen, 1-methyl or 2-lower alkyl; R, is lower alkyl; R2 is hydrogen, halo, lower alkyl, lower alkoxy, trifluoromethyl, cyano, difluoromethoxy, methylsulphinyl, phenylsulphinyl or the group -NR4R5 or the N-oxide thereof wherein R4 and R5, which may be the same or different, are lower alkyl or, together with the nitrogen atom to which they are attached form a pyrrolidino, piperidino or morpholino radical; and R3 is hydrogen, fluoro, lower alkyl or lower alkoxy provided that, when R3 is lower alkoxy, R2 is other than lower alkoxy have utility as antihypertensive agents. Processes for preparing the quinolones and pharmaceutical compositions containing them are disclosed.

  式 I 的新型喹诺酮类药物 及其药学上可接受的酸加成盐，其中喹诺酮环的位置2和3之间的虚线代表任选键，R是氢、1-甲基或2-低级烷基；R，是低级烷基；R2是氢、卤素、低级烷基、低级烷氧基、三氟甲基、氰基、二氟甲氧基、甲基亚磺酰基、苯基亚磺酰基或基团 -NR4R5 或其 N-氧化物，其中 R4 和 R5（可以相同或不同）是低级烷基，或与所连接的氮原子一起形成吡咯烷基、哌啶基或吗啉基；R3是氢、氟、低级烷基或低级烷氧基，但当R3是低级烷氧基时，R2是低级烷氧基以外的基团。本研究还公开了制备喹诺酮类药物和含有它们的药物组合物的工艺。
• Quinolones having antihypertensive activity
  申请人：The Boots Company PLC

  公开号：EP0206616A2

  公开（公告）日：1986-12-30

  Quinolines with antihypertensive activity have the general formula 1, wherein X is the residue of an optionally substituted benzene ring; R is lower alkyl; R3 is hydrogen or lower alkyl; R1 and R2, which may be the same or different, are hydrogen, lower alkyl, or, together with the nitrogen atom to which they are attached, form a 5 to 7 membered saturated heterocyclic ring optionally containing an additional hetero atom selected from nitrogen, oxygen and sulphur and optionally substituted by 1 or more lower alkyl groups; and the dotted line between positions 2 and 3 of the quinolone nucleus represents an optional bond. The compounds are useful as antihypertensive agents. They are also indicated for use in treating heart failure and ischaemic heart disease. With the exception of the three compounds 1-methyl-4--oxo-1,4-dihydroquinoline-3-sulphonamide, 1,N-dimethyl-4--oxo-1,4-dihydroquinoline-3-sulphonamide and 6,7-dimeth- oxyl-methyl-4-oxo-1,4-dihydroquinoline-3-sulphonamide, the quinolones of formula I are novel. Pharmaceutical compositions containing the compounds of formula I are described. Processes for preparing the novel quinolones are also described.

  具有抗高血压活性的喹啉类化合物具有通式 1、 其中，X 是任选取代的苯环的残基；R 是低级烷基；R3 是氢或低级烷基；R1 和 R2（可以相同或不同）是氢、低级烷基，或与它们连接的氮原子一起形成 5 至 7 个成员的饱和杂环，其中任选含有一个选自氮、氧和硫的杂原子，并任选被 1 个或多个低级烷基取代；喹诺酮核的位置 2 和 3 之间的虚线代表任选键。这些化合物可用作降压药。它们还可用于治疗心力衰竭和缺血性心脏病。 除了 1-甲基-4-氧代-1,4-二氢喹啉-3-磺酰胺、1,N-二甲基-4-氧代-1,4-二氢喹啉-3-磺酰胺和 6,7-二甲基-氧代-4-甲基-4-氧代-1,4-二氢喹啉-3-磺酰胺这三种化合物外，式 I 中的喹诺酮类化合物均为新型化合物。 描述了含有式 I 化合物的药物组合物。还描述了制备新型喹诺酮类药物的工艺。
• Derivatives of 4-fluoroanthranilic acid and their use as fungicides
  申请人：SCHERING AGROCHEMICALS LIMITED

  公开号：EP0360417A2

  公开（公告）日：1990-03-28

  Compounds of formula I where A, B and R¹⁻⁶ are as defined in the description have pesticidal and especially fungicidal activity. Many of the compounds are novel and these compounds per se, form part of the invention.

  式 I 的化合物 其中 A、B 和 R¹-⁶ 如说明中所定义，具有杀虫特别是杀真菌活性。许多化合物都是新颖的，这些化合物本身就是本发明的一部分。