4-氯-3-(三氟甲氧基)苯胺 | 97608-50-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-氯-3-(三氟甲氧基)苯胺
• 英文名称: 4-chloro-3-(trifluoromethoxy) aniline
• 英文别名: 4-chloro-3-(trifluoromethoxy)aniline
• CAS: 97608-50-9
• 化学式: C₇H₅ClF₃NO
• 分子量: 211.571
• InChiKey: RWTSQATWCKAOBB-UHFFFAOYSA-N

物化性质

• 沸点：
  227.0±35.0 °C(Predicted)
• 密度：
  1.468±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  6.1
• 海关编码：
  2922299090

反应信息

• 作为反应物：
  描述：

  4-氯-3-(三氟甲氧基)苯胺 在 硫酸 、 sodium nitrite 、 potassium iodide 作用下， 以 水 为溶剂， 反应 0.33h， 生成 1-chloro-4-iodo-2-(trifluoromethoxy)benzene
  参考文献：
  名称：

  Synthesis and Structure−Activity Studies of Biphenyl Analogues of the Tuberculosis Drug (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824)

  摘要：

  A series of biphenyl analogues of the new tuberculosis drug PA-824 was prepared, primarily by coupling the known (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol with iodobenzyl halides, followed by Suzuki Coupling Of these iodides with appropriate arylboronic acids or by assembly of the complete biaryl side chain prior to coupling with the above alcohol. Antitubercular activity was determined under both replicating (MABA) and nonreplicating (LORA) conditions. para-Linked biaryls were the most active, followed by meta-linked and then ortho-linked analogues. A more detailed study of a larger group of para-linked analogues showed a significant correlation between potency (MABA) and both lipophilicity (CLOGP) and the electron-withdrawing properties of terminal ring substituents (Sigma sigma). Selected compounds Were evaluated for their efficacy in a mouse model of acute Mycobacterium tuberculosis infection. In vivo activity correlated well with the stability of compounds to microsomal metabolism. Three compounds bearing combinations of lipophilic, electron-withdrawing groups achieved >200-fold higher efficacies than the parent drug.

  DOI：

  10.1021/jm901207n
• 作为产物：
  描述：

  1,3-二氯-2-(三氯甲氧基)苯 在 氢氟酸 、 sodium amide 作用下， 以 氨 为溶剂， -28.0~160.0 ℃ 、4.0 MPa 条件下， 反应 7.83h， 生成 4-氯-3-(三氟甲氧基)苯胺
  参考文献：
  名称：

  Langlois, Bernard; Soula, Gerard, Bulletin de la Societe Chimique de France, 1986, # 6, p. 925 - 929

  摘要：

  DOI：

文献信息

• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：UCL BUSINESS LTD

  公开号：WO2020043866A1

  公开（公告）日：2020-03-05

  A compound for use in the treatment of a disease ameliorated by the inhibition of Notum of formula (I): (I)

  一种用于治疗通过抑制公式（I）中的Notum改善的疾病的化合物：（I）
• NOVEL HETEROCYCLYL COMPOUNDS
  申请人：Aebi Johannes

  公开号：US20110092698A1

  公开（公告）日：2011-04-21

  The invention is concerned with novel bicyclic compounds of formula (I), wherein n, m, p, A, L, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 7 , R 8 , R 9 , and R 10 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor may be used, for example, in the prevention and/or treatment of inflammatory diseases, particularly peripheral arterial occlusive diseases or atherothrombosis.

  这项发明涉及式(I)的新颖双环化合物，其中n、m、p、A、L、R1、R2、R3、R4、R5、R6、R7、R7、R8、R9和R10如描述和索赔中所定义，并且其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，例如可用于预防和/或治疗炎症性疾病，特别是外周动脉闭塞疾病或动脉粥样硬化形成。
• [EN] DIAZEPAM DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS<br/>[FR] DÉRIVÉS DU DIAZÉPAM EN TANT QUE MODULATEURS DES RÉCEPTEURS DES CHIMIOKINES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011048032A1

  公开（公告）日：2011-04-28

  The invention is concerned with novel bicyclic compounds of Formula (I), wherein n, m, p, A, L, R1, R2, R3, R4, R5, R6, R7, R7, R8, R9 and R10 are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor and can be used as medicaments.

  这项发明涉及公式（I）的新颖双环化合物，其中n、m、p、A、L、R1、R2、R3、R4、R5、R6、R7、R7、R8、R9和R10的定义如描述和索赔中所述，以及其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，可用作药物。
• [EN] IMIDAZO[2,1-B]THIAZOLE AND 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE DERIVATIVES USEFUL AS S100-INHIBITORS<br/>[FR] DÉRIVÉS IMIDAZO[2,1-B]THIAZOLE ET 5,6-DIHYDROIMIDAZO[2,1-B]THIAZOLE UTILES EN TANT QU'INHIBITEURS DE S100
  申请人：ACTIVE BIOTECH AB

  公开号：WO2016042172A1

  公开（公告）日：2016-03-24

  A compound of formula (I) or a pharmaceutically acceptable salt thereof. The compound is useful for use in the treatment of cancer, an inflammatory disorder,an autoimmunity disorder or a neurodegenerative disorder.

  化合物的化学式（I）或其药用盐。该化合物可用于治疗癌症、炎症性疾病、自身免疫性疾病或神经退行性疾病。
• NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：US20200062729A1

  公开（公告）日：2020-02-27

  The invention relates to novel compounds of the formula (I) in which Z, Y, A 1 , A 2 , A 3 , A 4 , X, R 7 , R 8 and R 9 have the meanings mentioned above, and processes and intermediates for the preparation thereof, and their use for controlling animal pests, in particular insects.

  该发明涉及公式（I）中的新化合物，其中Z、Y、A1、A2、A3、A4、X、R7、R8和R9具有上述提及的含义，以及其制备的过程和中间体，以及它们用于控制动物害虫，特别是昆虫。