1,2-二氟-3-甲基-4-硝基苯 | 914348-35-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2-二氟-3-甲基-4-硝基苯
• 中文别名: 2,3-二氟-6-硝基甲苯
• 英文名称: 1,2-difluoro-3-methyl-4-nitrobenzene
• CAS: 914348-35-9
• 化学式: C₇H₅F₂NO₂
• 分子量: 173.119
• InChiKey: ODMLBEQUDLHJMW-UHFFFAOYSA-N

物化性质

• 沸点：
  223.7±35.0 °C(Predicted)
• 密度：
  1.374±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2904909090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1,2-二氟-3-甲基-4-硝基苯 在 吡啶 、 ammonium hydroxide 、 硫酸 、 硝酸 、 铁粉 、 sodium hydride 、 溶剂黄146 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 82.5h， 生成 (S)-N-(4,5-diamino-3-fluoro-2-methylphenyl)-N-methyl-2-morpholinopropanamide
  参考文献：
  名称：

  [EN] BENZIMIDAZOLE DERIVATIVES
  [FR] DÉRIVÉS DE BENZIMIDAZOLE

  摘要：

  该发明涉及式（I）的苯并咪唑及其药用盐，其中R1至R6如描述中所定义；它们在医学上的应用；含有它们的组合物；它们的制备方法；以及在这些方法中使用的中间体。式（I）的苯并咪唑是ITK抑制剂，因此在治疗包括特应性皮炎在内的广泛疾病中有潜在用途。

  公开号：

  WO2021124155A1
• 作为产物：
  描述：

  diethyl 2-(2,3-difluoro-6-nitrobenzyl)malonate 在 硫酸 作用下， 以 水 为溶剂， 以97.7 %的产率得到1,2-二氟-3-甲基-4-硝基苯
  参考文献：
  名称：

  CN117049938

  摘要：

  公开号：

文献信息

• NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：US20170217970A1

  公开（公告）日：2017-08-03

  To provide a novel compound having a HER2 inhibitory effect and having a cytostatic effect. It is also intended to provide a medicament useful in the prevention and/or treatment of a disease involving HER2, particularly, cancer, on the basis of the HER2 inhibitory effect. The present invention provides a compound of formula (I) wherein X, Y, Z 1 , Z 2 , Z 3 , Z 4 , W, n, R 1 , R 2 , and R 3 have meanings as defined in the present specification, or a salt thereof.

  提供一种具有HER2抑制作用和细胞静止作用的新化合物。还旨在提供一种药物，基于HER2抑制作用，可用于预防和/或治疗涉及HER2的疾病，特别是癌症。本发明提供一种具有以下结构的化合物（I），其中X、Y、Z1、Z2、Z3、Z4、W、n、R1、R2和R3的含义如本说明书中定义，或其盐。
• Compounds which have activity at M1 receptor and their uses in medicine.
  申请人：Budzik Brian

  公开号：US20080058378A1

  公开（公告）日：2008-03-06

  Compounds of formula (I) and salts and solvates are provided: wherein R 4 is fluoro, R 5 is selected from hydrogen, halogen, cyano, C 1-6 alkyl, C 1-6 alkyl substituted with one or more fluorine atoms, C 1-6 alkoxy, and C 1-6 alkoxy substituted with one or more fluorine atoms; and R 6 is selected from halogen, cyano, C 1-6 alkyl, C 1-6 alkyl substituted with one or more fluorine atoms, C 3-6 cycloalkyl, C 3-6 cycloalkyl substituted with one or more fluorine atoms, C 1-6 alkoxy and C 1-6 alkoxy substituted with one or more fluorine atoms, and Q is hydrogen or C 1-6 alkyl. The compounds are expected to be useful for therapy, for example in the treatment of psychotic disorders and cognitive impairment.

  提供了式(I)的化合物及其盐和溶剂化物： 其中R4为氟，R5选自氢、卤素、氰基、C1-6烷基、一种或多种氟原子取代的C1-6烷基、C1-6烷氧基和一种或多种氟原子取代的C1-6烷氧基；R6选自卤素、氰基、C1-6烷基、一种或多种氟原子取代的C1-6烷基、C3-6环烷基、一种或多种氟原子取代的C3-6环烷基、C1-6烷氧基和一种或多种氟原子取代的C1-6烷氧基，Q为氢或C1-6烷基。这些化合物预计在治疗方面有用，例如在治疗精神障碍和认知障碍方面。
• Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine
  申请人：Budzik Brian

  公开号：US20080255195A1

  公开（公告）日：2008-10-16

  Compounds of formula (I) and salts are provided: wherein R 4 is fluoro, R 5 is selected from hydrogen, halogen, cyano, C 1-6 alkyl, C 1-6 alkyl substituted with one or more fluorine atoms, C 1-6 alkoxy, and C 1-6 alkoxy substituted with one or more fluorine atoms; and R 6 is selected from halogen, cyano, C 1-6 alkyl, C 1-6 alkyl substituted with one or more fluorine atoms, C 3-6 cycloalkyl, C 3-6 cycloalkyl substituted with one or more fluorine atoms, C 1-6 alkoxy and C 1-6 alkoxy substituted with one or more fluorine atoms, and Q is hydrogen or C 1-6 alkyl. The compounds are expected to be useful for therapy, for example in the treatment of psychotic disorders and cognitive impairment.

  提供了化学式（I）和盐的化合物：其中R4为氟，R5从氢，卤素，氰基，C1-6烷基，C1-6烷基取代物，其中取代了一个或多个氟原子，C1-6烷氧基和C1-6烷氧基取代物中选择; R6从卤素，氰基，C1-6烷基，C1-6烷基取代物中选择，其中取代了一个或多个氟原子，C3-6环烷基，C3-6环烷基取代物中选择一个或多个氟原子，C1-6烷氧基和C1-6烷氧基取代物，Q为氢或C1-6烷基。预计这些化合物在治疗中会有用，例如在治疗精神障碍和认知障碍方面。
• HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES
  申请人：ARTMANN, III Gerald David

  公开号：US20120245187A1

  公开（公告）日：2012-09-27

  The invention relates to novel organic compounds of formula (I) and their use in the treatment of the animal or human body, to pharmaceutical compositions comprising a compound of formula I and to the use of a compound of formula I for the preparation of pharmaceutical compositions for use in the treatment of protein kinase dependent diseases, especially of proliferative diseases, such as in the treatment of tumour diseases and ocular neovascular diseases.

  本发明涉及一种新型有机化合物(I)及其在动物或人体治疗中的应用，包括含有化合物I的制药组合物以及利用化合物I制备用于治疗蛋白激酶依赖性疾病的制药组合物的应用，特别是在治疗增殖性疾病，如肿瘤疾病和眼部新生血管疾病方面的应用。
• Compounds which have activity at M1 receptor and their uses in medicine
  申请人：Glaxo Group Limited

  公开号：US08283364B2

  公开（公告）日：2012-10-09

  Compounds of formula (I) and salts are provided: wherein R4 is fluoro, R5 is selected from hydrogen, halogen, cyano, C1-6alkyl, C1-6alkyl substituted with one or more fluorine atoms, C1-6alkoxy, and C1-6alkoxy substituted with one or more fluorine atoms; and R6 is selected from halogen, cyano, C1-6alkyl, C1-6alkyl substituted with one or more fluorine atoms, C3-6cycloalkyl, C3-6cycloalkyl substituted with one or more fluorine atoms, C1-6alkoxy and C1-6alkoxy substituted with one or more fluorine atoms, and Q is hydrogen or C1-6alkyl. The compounds are expected to be useful for therapy, for example in the treatment of psychotic disorders and cognitive impairment.

  提供了公式（I）和盐的化合物：其中R4为氟，R5选择自氢，卤素，氰基，C1-6烷基，C1-6烷基取代一个或多个氟原子，C1-6烷氧基和C1-6烷氧基取代一个或多个氟原子; R6选择自卤素，氰基，C1-6烷基，C1-6烷基取代一个或多个氟原子，C3-6环烷基，C3-6环烷基取代一个或多个氟原子，C1-6烷氧基和C1-6烷氧基取代一个或多个氟原子，Q为氢或C1-6烷基。这些化合物预计在治疗中有用，例如用于治疗精神障碍和认知障碍。