2-bromo-5-fluorocumene | 112611-94-6

• 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: 2-bromo-5-fluorocumene
• 英文别名: 1-Bromo-4-fluoro-2-isopropylbenzene；1-bromo-4-fluoro-2-propan-2-ylbenzene
• CAS: 112611-94-6
• 化学式: C₉H₁₀BrF
• 分子量: 217.081
• InChiKey: BHNAMOVNNLGEQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-bromo-4-fluoro-2-(prop-1-en-2-yl)benzene 在 铑 氢气 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 以to afford 1-bromo-4-fluoro-2-isopropylbenzene的产率得到2-bromo-5-fluorocumene
  参考文献：
  名称：

  BENZOTHIOPHENE DERIVATIVES AND COMPOSITIONS THEREOF AS SELECTIVE ESTROGEN RECEPTOR DEGRADERS

  摘要：

  本发明涉及公式I的化合物：其中n，m，X，Y1，R1，R2，R3，R4和R5在发明摘要中有定义；这些化合物能够同时作为雌激素受体的有效拮抗剂和降解剂。本发明还提供了制备本发明化合物的方法，包括这些化合物的制药制剂以及使用这些化合物和组合物在管理与异常雌激素受体活性相关的疾病或疾病的方法。

  公开号：

  US20160184265A1

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS DESTINÉS AU TRAITEMENT D'ÉTATS PATHOLOGIQUES ASSOCIÉS À UNE ACTIVITÉ NLRP
  申请人：IFM TRE INC

  公开号：WO2019023145A1

  公开（公告）日：2019-01-31

  In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured. The variables shown in Formula AA are as defined in the claims. The compounds of formula AA are NLRP3 activity modulators and, as such, can be used in the treatment of metabolic disorders (e.g. Type 2 diabetes, atherosclerosis, obesity or gout), a disease of the central nervous system (e.g. Alzheimer's disease, multiple sclerosis, Amyotrophic Lateral Sclerosis or Parkinson's disease), lung disease (e.g. asthma, COPD or pulmonary idiopathic fibrosis), liver disease (e.g. NASH syndrome, viral hepatitis or cirrhosis), pancreatic disease (e.g. acute pancreatitis or chronic pancreatitis), kidney disease (e.g. acute kidney injury or chronic kidney injury), intestinal disease (e.g. Crohn's disease or Ulcerative Colitis), skin disease (e.g. psoriasis), musculoskeletal disease (e.g. scleroderma), a vessel disorder (e.g. giant cell arteritis), a disorder of the bones (e.g. osteoarthritis, osteoporosis or osteopetrosis disorders), eye disease (e.g. glaucoma or macular degeneration), a disease caused by viral infection (e.g. HIV or AIDS), an autoimmune disease (e.g. Rheumatoid Arthritis, Systemic Lupus Erythematosus or Autoimmune Thyroiditis), cancer or aging.

  在一个方面，特色化合物AA的公式，或其药学上可接受的盐。在公式AA中显示的变量如索引中所定义。公式AA的化合物是NLRP3活性调节剂，因此可用于治疗代谢性疾病（例如2型糖尿病、动脉粥样硬化、肥胖或痛风）、中枢神经系统疾病（例如阿尔茨海默病、多发性硬化症、肌萎缩性侧索硬化或帕金森病）、肺部疾病（例如哮喘、慢性阻塞性肺疾病或肺部特发性纤维化）、肝脏疾病（例如NASH综合征、病毒性肝炎或肝硬化）、胰腺疾病（例如急性胰腺炎或慢性胰腺炎）、肾脏疾病（例如急性肾损伤或慢性肾损伤）、肠道疾病（例如克罗恩病或溃疡性结肠炎）、皮肤疾病（例如牛皮癣）、肌肉骨骼疾病（例如硬皮病）、血管障碍（例如巨细胞动脉炎）、骨骼疾病（例如骨关节炎、骨质疏松症或骨质增生疾病）、眼部疾病（例如青光眼或黄斑变性）、病毒感染引起的疾病（例如HIV或艾滋病）、自身免疫疾病（例如类风湿性关节炎、系统性红斑狼疮或自身免疫性甲状腺炎）、癌症或衰老。
• Gas phase alkylation of dihalobenzenes by free isopropyl cations
  作者：Bianca Aliprandi、Fulvio Cacace、Simonetta Fornarini

  DOI：10.1016/s0040-4020(01)86888-5

  日期：1987.1

  isopropyl cations has been studied in the gas phase by a combination of chemical ionization (CI) mass spectrometry with a radiolytic approach. In particular, the reactivity of m- and p-bromofluorobenzene and of m- and p-chlorofluorobenzene has been investigated in propane gas at 50–720 Torr and 37.5°C, measuring the substrate and positional selectivity of the alkylation, and compared with condensed-phase

  在气相中已通过化学电离（CI）质谱与放射分解方法的组合研究了选定的二卤代苯对游离异丙基阳离子的反应性。特别是，已在丙烷气体中于50–720托和37.5°C下研究了间和对溴氟苯和间氯氟苯的反应性，测量了烷基化反应的底物和位置选择性，并将其与缩合反应进行了比较。在典型的Friedel-Crafts条件下进行两相异丙基化。通过比较，可以检测到气相反应的机械特性，该特性可追溯到卤素取代基的参与，从而增强了邻位取向。4-溴氟苯的气相异丙基化的一个值得注意的特征是，以高收率形成了2-溴-4-氟枯烯，
• Bicycle pyrazole derivative
  申请人：Nakahira Hiroyuki

  公开号：US20070082908A1

  公开（公告）日：2007-04-12

  A compound represented by the following formula (I), a prodrug thereof, or a pharmaceutically acceptable salt of either. These are compounds having high DPP-IV inhibitory activity and improved in safety, nontoxicity, etc. (I) [In the formula, R 1 represents hydrogen, optionally substituted alkyl, etc.; the solid line and dotted line between A 1 and A 2 indicate a double bond (A 1 =A 2 ), etc.; A 1 represents a group represented by the formula C(R 2 ), etc.; A 2 represents a group represented by the formula C(R 4 ), etc.; R 2 represents hydrogen, optionally substituted alkyl, etc.; R 4 represents hydrogen, optionally substituted alkyl, etc.; R 6 represents hydrogen, optionally substituted aryl, etc.; and —Y represents, e.g.; a group represented by the formula (A): (A) (wherein m1 is 0, 1, 2, or 3; and R 7 is absent, or one or two R 7 's are present and each independently represents optionally substituted alkyl, etc.).]

  以下化合物的公式（I）或其前药，或者是任何一种药学上可接受的盐。这些化合物具有高DPP-IV抑制活性和改善安全、无毒性等特点。（I）[在公式中，R1代表氢，可选取代的烷基等；A1和A2之间的实线和虚线表示双键（A1=A2），等等；A1代表由公式C（R2）等表示的基团；A2代表由公式C（R4）等表示的基团；R2代表氢，可选取代的烷基等；R4代表氢，可选取代的烷基等；R6代表氢，可选取代的芳基等；而—Y代表例如由公式（A）表示的一个基团：（A）（其中m1为0、1、2或3；R7不存在，或者存在一个或两个R7，每个独立地代表可选取代的烷基等）。]
• Novel condensed imidazole derivative
  申请人：Nakahira Hiroyuki

  公开号：US20070105890A1

  公开（公告）日：2007-05-10

  Disclosed is a compound represented by the formula (1) below which has a high DPP-IV inhibitory activity and is improved in safety, toxicity and the like. Also disclosed is a prodrug of such a compound and pharmaceutically acceptable salts of them. (In the formula, R 1 represents a hydrogen atom, an optionally substituted alkyl group or the like; R 2 and R 3 independently represent a hydrogen atom, an optionally substituted alkyl group or the like; R 4 and R 5 independently represent a hydrogen atom, an optionally substituted alkyl group or the like: R 6 represents a hydrogen atom, an optionally substituted aryl group or the like; and —Y—NH 2 , represents a group represented by the following formula (A): (wherein m is 0, 1 or 2; and R 7 may not exist or one or two R 7 may exist and independently represent an optionally substituted alkyl group or the like) or the like.]

  公开了一种化合物，其表示为以下式（1），具有较高的DPP-IV抑制活性并且在安全性、毒性等方面得到改善。还公开了这种化合物的前药和它们的药学上可接受的盐。（在该式中，R1表示氢原子，可选择性取代的烷基或类似物; R2和R3独立地表示氢原子，可选择性取代的烷基或类似物; R4和R5独立地表示氢原子，可选择性取代的烷基或类似物：R6表示氢原子，可选择性取代的芳基或类似物; 而—Y—NH2表示由以下式（A）表示的基团：（其中m为0、1或2；而R7可能不存在或一个或两个R7可能存在且独立地表示可选择性取代的烷基或类似物）或类似物。）
• HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES
  申请人：Bunnage Mark Edward

  公开号：US20130196952A1

  公开（公告）日：2013-08-01

  The invention relates to compounds of Formula (1) and to processes for the preparation of intermediates used in the preparation of compositions containing and the uses of such derivatives. The compounds according to the present invention are useful in numerous diseases in which ALK protein is involved or in which inhibition of ALK activity may induce benefit, especially for the treatment of cancer mediated by a mutated EML4-ALK fusion protein.

  本发明涉及式（1）的化合物，以及用于制备含有这些衍生物的组合物的中间体的制备过程和使用。根据本发明的化合物在许多与ALK蛋白有关或抑制ALK活性可能产生益处的疾病中非常有用，特别是用于治疗由突变的EML4-ALK融合蛋白介导的癌症。