2-Methyl-4-fluoro-5-methoxyaniline | 77153-73-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-Methyl-4-fluoro-5-methoxyaniline
• 英文别名: 4-Fluoro-5-methoxy-2-methylaniline
• CAS: 77153-73-2
• 化学式: C₈H₁₀FNO
• 分子量: 155.172
• InChiKey: YBFLAQPRXNBVQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Methyl-4-fluoro-5-methoxyaniline 在 亚硝酸异戊酯 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以60%的产率得到2-氟-4-甲基苯甲醚
  参考文献：
  名称：

  Aromatic fluorinations suitable for fluorine-18 labeling of estrogens

  摘要：

  DOI：

  10.1021/jo00325a017
• 作为产物：
  描述：

  2-Azido-4-methoxy-1-methyl-benzene 在 氢氟酸 作用下， 以 正己烷 、 二氯甲烷 为溶剂， 反应 1.0h， 生成 2-Methyl-4-fluoro-5-methoxyaniline
  参考文献：
  名称：

  Aromatic fluorinations suitable for fluorine-18 labeling of estrogens

  摘要：

  DOI：

  10.1021/jo00325a017

文献信息

• BICYCLIC NITROGENATED HETEROCYCLIC DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME
  申请人：Shionogi & Co., Ltd

  公开号：EP3527568A1

  公开（公告）日：2019-08-21

  Provided are a novel compound having an antagonistic activity for the P2X7 receptor, and a pharmaceutical composition having an antagonistic activity for the P2X7 receptor. A compound represented by Formula (I): wherein Z1 is C(R4) or the like; R4 is a hydrogen atom or the like; Z2 is C(R5a)(R5a') or the like; the dashed line represents the presence or absence of a bond; when the dashed line represents the presence of a bond, then R5a' is absent; R5a and R5a' are each independently a hydrogen atom or the like; Ring Q is a substituted or unsubstituted 5-membered non-aromatic heterocycle or the like; Y1 is O or the like; R2a is a group represented by the formula: -(C(R2a')(R2b'))n-R1; R2b is a hydrogen atom or the like; R2a' and R2b' is each independently a hydrogen atom or the like; R1 is substituted or unsubstituted aromatic carbocyclyl or the like; X is N(R7a) or the like; R7a is a hydrogen atom or the like; R3 is substituted or unsubstituted aromatic carbocyclyl or the like; n is an integer from 0 to 4; and m is an integer from 0 to 4, or a pharmaceutically acceptable salt thereof.

  本文提供了一种对 P2X7 受体具有拮抗活性的新型化合物，以及一种对 P2X7 受体具有拮抗活性的药物组合物。由式（I）代表的化合物： 其中Z1是C(R4)或类似物；R4是氢原子或类似物；Z2是C(R5a)(R5a')或类似物；虚线表示键的存在或不存在；当虚线表示键的存在时，则R5a'不存在；R5a和R5a'各自独立地是氢原子或类似物；环Q是取代或未取代的5元非芳杂环或类似物；Y1是O或类似物；R2a是由式表示的基团：-(C(R2a')(R2b'))n-R1； R2b 是氢原子或类似物； R2a'和 R2b'各自独立地是氢原子或类似物； R1 是取代或未取代的芳香族碳环或类似物； X 是 N(R7a)或类似物；R7a 是氢原子或类似物；R3 是取代或未取代的芳香族羰基或类似物；n 是 0 至 4 的整数；和 m 是 0 至 4 的整数，或其药学上可接受的盐。
• Bicyclic nitrogen-containing heterocyclic derivatives and pharmaceutical composition comprising the same
  申请人：Shionogi & Co., Ltd.

  公开号：US11066409B2

  公开（公告）日：2021-07-20

  Provided are a novel compound having an antagonistic activity for the P2X7 receptor, and a pharmaceutical composition having an antagonistic activity for the P2X7 receptor. The compound represented by Formula (I): wherein the symbols are defined in the specification, or a pharmaceutically acceptable salt thereof.

  本文提供了一种对 P2X7 受体具有拮抗活性的新型化合物，以及一种对 P2X7 受体具有拮抗活性的药物组合物。该化合物由式（I）表示： 其中符号在说明书中定义，或其药学上可接受的盐。
• BICYCLIC NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Shionogi & Co., Ltd.

  公开号：US20200048257A1

  公开（公告）日：2020-02-13

  Provided are a novel compound having an antagonistic activity for the P2X 7 receptor, and a pharmaceutical composition having an antagonistic activity for the P2X 7 receptor. The compound represented by Formula (I): wherein the symbols are defined in the specification, or a pharmaceutically acceptable salt thereof.
• US8288552B2
  申请人：——

  公开号：US8288552B2

  公开（公告）日：2012-10-16