2,6-二氯-3-甲基苄基溴 | 261763-44-4

• 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: 2,6-二氯-3-甲基苄基溴
• 中文别名: 2,6-二氟-3-甲基苄基溴
• 英文名称: 2-(bromomethyl)-1,3-difluoro-4-methylbenzene
• 英文别名: 2,6-difluoro-3-methylbenzyl bromide
• CAS: 261763-44-4
• 化学式: C₈H₇BrF₂
• 分子量: 221.044
• InChiKey: IHFNXAURNLUMOH-UHFFFAOYSA-N

物化性质

• 沸点：
  76°C/3mm
• 闪点：
  76°C/3mm
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R34,R36/37/38
• 包装等级：
  III
• WGK Germany：
  3
• 危险品运输编号：
  UN 1760

反应信息

• 作为反应物：
  描述：

  2,6-二氯-3-甲基苄基溴 在 sodium hydride 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 以 醋酸异丙酯 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 [(R)-1-{[5-(4-Chloro-phenyl)-3,3-dimethyl-1,1-dioxo-2,3-dihydro-1H-1λ6-isothiazol-4-ylmethyl]-ethyl-carbamoyl}-2-(2,6-difluoro-3-methyl-benzyloxy)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Structure activity studies of the serine-AIB dipeptide domain in 2,3-dihydroisothiazole based growth hormone secretagogues

  摘要：

  A series of growth hormone secretagogues (GHSs) based on 2,3-dihydroisothiazole has been synthesized in the search for a potential treatment of growth hormone deficiency or frailty in the elderly. This paper describes the evaluation of the SAR of the benzyl-D-Ser-aminoisobutyric acid dipeptide fragment. Introduction of substituents in the peptide backbone and in the phenyl ring has been investigated, as well as replacements for the benzyl group and for the AIB residue. A number of modifications resulted in enhanced potency over the parent benzyl-D-Ser-AIB derivative. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.07.070

文献信息

• INHIBITORS OF STEAROYL-COA DESATURASE
  申请人：Gillespie Paul

  公开号：US20090149466A1

  公开（公告）日：2009-06-11

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

  提供以下式(I)化合物： 以及药用可接受的盐，其中取代基如说明书中所披露。这些化合物以及包含它们的药物组合物可用于治疗诸如肥胖等疾病。
• (PYRAZOL-3-YL)-1,3,4-THIADIAZOL-2-AMINE AND (PYRAZOL-3-YL)-1,3,4-THIAZOL-2-AMINE COMPOUNDS
  申请人：Ballell Pages Lluis

  公开号：US20120095064A1

  公开（公告）日：2012-04-19

  A compound of Formula (I) wherein: either X is N and Y is CR 5 or X is C and Y is S; Z is selected from N and CH; R 1 is selected from H and Me; R 2 is selected from H, OH, OMe and Me; each R 3 is independently selected from C 1-3 alkyl, F, Cl, Br, CF 3 and NH 2 ; R 4 is selected from Me, CF 3 , NO 2 and CHF 2 ; R 5 is selected from H, Me and CHF 2 ; R 6 is selected from H and Me; and p is 0-3, compositions containing them, their use in therapy, for example in the treatment of tuberculosis, and methods for the preparation of such compounds, are provided.

  一个由Formula (I)组成的化合物 其中：X为N且Y为CR5，或者X为C且Y为S；Z从N和CH中选择；R1从H和Me中选择；R2从H、OH、OMe和Me中选择；每个R3独立地从C1-3烷基、F、Cl、Br、CF3和NH2中选择；R4从Me、CF3、NO2和CHF2中选择；R5从H、Me和CHF2中选择；R6从H和Me中选择；p为0-3，提供了含有它们的组合物，它们在治疗中的使用，例如在结核病治疗中的使用，以及制备这类化合物的方法。
• [EN] NOVEL 5-AMINO-2-THIOIMIDAZOLE COMPOUNDS AND THEIR USE<br/>[FR] NOUVEAUX COMPOSÉS 5-AMINO-2-THIO-IMIDAZOLES ET LEUR UTILISATION
  申请人：UNIV LILLE II DROIT & SANTE

  公开号：WO2017042380A1

  公开（公告）日：2017-03-16

  The present invention is directed to novel compounds of formula (I) pharmaceutically acceptable salts or solvates thereof, and their use.

  本发明涉及公式(I)的新化合物，其药用盐或溶剂，以及它们的用途。
• FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS
  申请人：AbbVie Deutschland GmbH & Co. KG

  公开号：US20170174672A1

  公开（公告）日：2017-06-22

  The invention relates to (hetero)cyclic compounds as S1P modulators, pharmaceutical compositions comprising such compounds, and uses thereof in the treatment, alleviation or prevention of diseases or disorders mediated by an S1P receptor.

  这项发明涉及(S1P)调节剂的(杂)环化合物，包括这种化合物的药物组合物，以及在通过S1P受体介导的疾病或紊乱的治疗、缓解或预防中的用途。
• [EN] DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796<br/>[FR] DÉRIVÉS DE L'ADÉNINE ET DE LA 8-AZA-ADÉNINE ET LEURS UTILISATIONS
  申请人：ASTRAZENECA AB

  公开号：WO2009034386A1

  公开（公告）日：2009-03-19

  The invention relates to chemical compounds, or pharmaceutically acceptable salts thereof of the formula (I): which have bacterial MurI inhibitory activity and are accordingly useful for their treatment and prophylaxis of bacterial infection, e.g., E.faecalis or E. faeciuminfection. Further, the invention relates to methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of the compounds, to pharmaceutical compositions containing them, and to their use in the manufacture of medicaments of use in the treatment and prevention of various bacterial diseases in a warm-blooded animalsuch as man.

  该发明涉及化合物或其药用可接受的盐，其化学式为（I）：具有细菌MurI抑制活性，因此可用于治疗和预防细菌感染，例如E.faecalis或E. faecium感染。此外，该发明涉及人体或动物体的治疗方法。该发明还涉及化合物的制造方法，含有这些化合物的药物组合物，以及它们在制造用于治疗和预防人类等恒温动物各种细菌疾病的药物中的应用。