1-(4-溴-3-甲基苯基)丙烷-1-酮 | 210228-01-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-溴-3-甲基苯基)丙烷-1-酮
• 英文名称: 1-(4-Bromo-3-methyl phenyl)-propan-1-one
• 英文别名: 1-(4-bromo-3-methylphenyl)propane-1-one；1-(4-Brom-3-methyl-phenyl)-propan-1-on；1-(4-bromo-3-methylphenyl)-1-propanone；4'-bromo-5'-methylpropiophenone；1-(4-Bromo-3-methylphenyl)propan-1-one
• CAS: 210228-01-6
• 化学式: C₁₀H₁₁BrO
• 分子量: 227.101
• InChiKey: GNIQKPLAEAAAPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090

SDS

1-(4-溴-3-甲基苯基)丙烷-1-酮MSDS英文版

反应信息

• 作为反应物：
  描述：

  1-(4-溴-3-甲基苯基)丙烷-1-酮 在 tris(dibenzylideneacetone)dipalladium (0) 、 caesium carbonate 、 lithium hexamethyldisilazane 、 2-二环己膦基-2'-(N,N-二甲胺)-联苯 作用下， 以 四氢呋喃 为溶剂， 生成 4-[4-(2-Benzyl-3-oxo-cyclohex-1-enylamino)-3-methyl-phenyl]-3-methyl-4-oxo-butyric acid methyl ester
  参考文献：
  名称：

  Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors

  摘要：

  Aryldihydropyridazinones and aryldimethylpyrazolones with 2-benzyl vinylogous amide substituents have been identified as potent PDE3B subtype selective inhibitors. Dihydropyridazinone 8a (PDE3B IC50 = 0.19 nM, 3A IC50 = 1.3 nM) was selected for in vivo evaluation of lipolysis induction, metabolic rate increase, and cardiovascular effects. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.056
• 作为产物：
  描述：

  3-甲基-4-溴苯甲酸 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 1-(4-溴-3-甲基苯基)丙烷-1-酮
  参考文献：
  名称：

  Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors

  摘要：

  Aryldihydropyridazinones and aryldimethylpyrazolones with 2-benzyl vinylogous amide substituents have been identified as potent PDE3B subtype selective inhibitors. Dihydropyridazinone 8a (PDE3B IC50 = 0.19 nM, 3A IC50 = 1.3 nM) was selected for in vivo evaluation of lipolysis induction, metabolic rate increase, and cardiovascular effects. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.056

文献信息

• Parallel Synthesis of Aldehydes and Ketone Facilitated by a New Solid-Phase Weinreb Amide
  作者：Joseph M. Salvino、Miljenko Mervic、Helen J. Mason、Terence Kiesow、David Teager、John Airey、Richard Labaudiniere

  DOI：10.1021/jo981431r

  日期：1999.3.1

  describes a novel supported Weinreb amide resin that facilitates parallel synthesis of aldehydes and ketones on a scale useful for chemical library synthesis. This new resin makes it possible to produce custom aldehydes and ketones from a wide range of carboxylic acids, including N-BOC-amino acids. A variety of commercially unavailable aldehydes are easily synthesized in parallel and obtained in high purity

  本文介绍了一种新型的负载型Weinreb酰胺树脂，该树脂有助于以可用于化学库合成的规模并行合成醛和酮。这种新的树脂可以从多种羧酸（包括N-BOC-氨基酸）生产定制的醛和酮。可以轻松地并行合成各种商业上不可用的醛，并通过简单的过滤后处理以高纯度获得这些醛，从而促进了铅优化库的并行合成，该库通常需要定制醛中间体的合成来发展结构-活性关系。为了证明此方法的实用性，我们基于支持的Horner-Emmons试剂合成了一个小型文库。这是首次证明通过担载的Weinreb酰胺产生的醛可直接用作采用对水分敏感的反应的化学文库合成中的试剂。由于必需的费力的萃取后处理程序，有时这些反应性中间体的不稳定性，因此类似的溶液反应不适合于平行合成。
• Vitamin D analogues
  申请人：Galderma Research & Development, S.N.C.

  公开号：US06831106B1

  公开（公告）日：2004-12-14

  The present invention relates to novel triaromatic compounds having the general formula (I): as well as to a method for preparing them and to their use in pharmaceutical compositions intended for use in human or veterinary medicine (in dermatology, in carcinology and in the field of autoimmune diseases and that of organ or tissue transplants in particular), or alternatively in cosmetic compositions.

  本发明涉及具有通式（I）的新型三芳基化合物，以及用于制备它们的方法，以及它们在用于人类或兽医药学（特别是在皮肤病学、癌症学、自身免疫疾病以及器官或组织移植领域）中的药物组合物中的用途，或者用于化妆品组合物中的用途。
• [EN] MONOAMINE REUPTAKE INHIBITORS<br/>[FR] INHIBITEURS DE LA RECAPTURE DES MONOAMINES
  申请人：RES TRIANGLE INST

  公开号：WO2010121022A1

  公开（公告）日：2010-10-21

  The invention provides bupropion analogue compounds capable of inhibiting the reuptake of one or more monoamines. The compounds may selectively bind to one or more monoamine transporters, including those for dopamine, norepinephrine, and serotonin. Such compounds may be used to treat conditions that are responsive to inhibition of the reuptake of monoamines, including addiction, depression, and obesity.

  该发明提供了一种能够抑制一种或多种单胺再摄取的丁丙吡胺类似化合物。这些化合物可以选择性地结合到一种或多种单胺转运体上，包括多巴胺、去甲肾上腺素和5-羟色胺的转运体。这些化合物可用于治疗对单胺再摄取抑制有响应的疾病，包括成瘾、抑郁和肥胖症。
• Triaromatic vitamin D analogues
  申请人：——

  公开号：US20030195259A1

  公开（公告）日：2003-10-16

  The invention relates, as novel and useful industrial products, to triaromatic compounds, which are vitamin D analogues, of general formula (I): 1 and also to a method for preparing them and to their use in pharmaceutical compositions intended for use in human or veterinary medicine, or alternatively in cosmetic compositions.

  该发明涉及一种新颖且有用的工业产品，即一般式(I)的三芳基化合物，它们是维生素D类似物，同时涉及一种制备它们的方法以及它们在用于人类或兽医药物的制剂中的使用，或者在化妆品制剂中的使用。
• Process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds
  申请人：——

  公开号：US20020183558A1

  公开（公告）日：2002-12-05

  This invention is directed to a process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and (&agr;,&bgr;-unsaturated carboxylic acid and aldehyde compounds and to polymeric hydroxylamine resin compounds useful therefor.

  本发明涉及一种用于固相合成醛、酮、肟、胺、羟肟酸和α，β-不饱和羧酸和醛化合物的过程，以及用于该过程的聚合物羟肟酸树脂化合物。