3-溴-4-乙基苯甲醛 | 461425-63-8

• 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: 3-溴-4-乙基苯甲醛
• 英文名称: 3-bromo-4-ethylbenzaldehyde
• CAS: 461425-63-8
• 化学式: C₉H₉BrO
• 分子量: 213.074
• InChiKey: RQHCEGIMPJEZGS-UHFFFAOYSA-N

物化性质

• 沸点：
  277.4±20.0 °C(Predicted)
• 密度：
  1.419±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-溴-4-乙基苯甲醛 在 盐酸 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 methanesulfonato(2-dicyclohexylphosphino-2’,6’-di-i-propoxy-1,1’-biphenyl)(2’-methylamino-1,1‘-biphenyl-2-yl)palladium(II) 、 potassium acetate 、 potassium carbonate 、 [双(2-甲氧基乙基)胺]三氟化硫 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 25.0h， 生成 4-((1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl)-7-(5-(difluoromethyl)-2-ethylphenyl)-8-fluoro-2-((tetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy-d₂)pyrido[4,3-d]pyrimidine
  参考文献：
  名称：

  [EN] DEUTERATED COMPOUNDS USEFUL AS KRAS G12D INHIBITORS
  [FR] COMPOSÉS DEUTÉRÉS UTILES COMME INHIBITEURS DE KRAS G12D

  摘要：

  提供的是公式（I）或公式（I'）的氘代化合物，或其盐，其中R1至R6中至少有一个为D（氘原子），并且X0，Y和R在此定义。还提供了使用这些化合物来调节或抑制KRAS G12D突变蛋白活性的方法，以及包含这些化合物的药物组合物。这些化合物在治疗各种疾病或状况，如癌症方面非常有用。

  公开号：

  WO2022262838A1
• 作为产物：
  描述：

  4-乙基苯甲醛 在 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 三氟乙酸 作用下， 反应 16.0h， 生成 3-溴-4-乙基苯甲醛
  参考文献：
  名称：

  [EN] CALCIUM RECEPTOR MODULATING ARYLALKYLAMINES
  [FR] ARYLALKYLAMINES MODULANT UN RECEPTEUR CALCIQUE

  摘要：

  该发明的化合物由以下一般结构（I）或其药用可接受盐所代表，以及含有它们的组合物，其中变量在此处定义，并且它们的用途是减少或抑制PTH分泌，包括减少或抑制PTH分泌的方法以及用于治疗或预防与骨骼疾病相关的疾病的方法，例如骨质疏松症，或与PTH过度分泌相关的疾病，例如甲状旁腺功能亢进症。该主题发明还涉及制备此类化合物的过程，以及在此类过程中有用的中间体。

  公开号：

  WO2003099776A1

文献信息

• Method of producing high yield alditol acetals with mineral acids and surfactants
  申请人：——

  公开号：US20020137953A1

  公开（公告）日：2002-09-26

  This invention relates to a process for preparing alditol acetals, such as dibenzylidene sorbitols, monobenzylidene sorbitols, and the like, through the reaction of unsubstituted or substituted benzaldehydes with alditols (such as sorbitol, xylitol, and ribitol) in the presence of a mineral acid and at least one surfactant having at least one pendant group of 6 carbon chains in length. Such a reaction provides a cost-effective, relatively safe procedure that provides excellent high yields of alditol acetal product. Furthermore, such a specific reaction is also the best known procedure for the production of certain compounds which can be easily separated from other formed isomers. Additionally, such a procedure facilitates the production of certain asymmetric alditol acetal compounds and compositions in acceptable yields as well. Such alditol acetals are useful as nucleating and clarifying agents for polyolefin formulations and articles, as one example.

  本发明涉及一种制备醇醚醋酸酯（例如二苯基甘露醇、单苯基甘露醇等）的方法，通过在矿酸和至少具有至少一个6个碳链长度的挂链基团的表面活性剂存在下，使未取代或取代的苯甲醛与醇醇（例如山梨醇、木糖醇和核糖醇）反应。这种反应提供了一种成本效益高、相对安全的过程，可以提供优异的高产率的醇醚醋酸酯产品。此外，这种特定的反应也是已知的最佳生产某些化合物的方法，这些化合物可以轻松地与其他形成的异构体分离。此外，这种过程还可以以可接受的产率促进特定的不对称醇醚醋酸酯化合物和组合物的生产。这些醇醚醋酸酯可用作聚烯烃配方和制品的成核和澄清剂，作为一个例子。
• Novel symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same
  申请人：——

  公开号：US20030008951A1

  公开（公告）日：2003-01-09

  Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials are provided. More particularly, this invention relates to certain alkyl (or alkoxy) substituted halo-benzylidene sorbitol acetals and polymer compositions thereof which may be utilized within, as merely examples, food or cosmetic containers and packaging. These inventive halogenated (that is, chlorinated, brominated, or iodinated) and alkylated benzylidene sorbitol acetals are also useful as gelling agents for water and organic solvents, particularly those used in the preparation of antiperspirant gel sticks.

  提供了作为成核剂有用的塑料添加剂，特别是用于改善聚合材料光学性能的添加剂。更具体地说，本发明涉及某些烷基（或烷氧基）取代的卤代苯甲醛山梨醇缩醛及其聚合物组合物，可以在食品或化妆品容器和包装中使用。这些创新的卤代（即氯化，溴化或碘化）和烷基化苯甲醛山梨醇缩醛还可用作水和有机溶剂的凝胶剂，特别是用于制备止汗凝胶棒的溶剂。
• Method of nucleating a polyolefin composition with acetal-based compounds
  申请人：Xie Chunping

  公开号：US20050239926A1

  公开（公告）日：2005-10-27

  An acetal-based composition useful as a nucleating, gelling, thickening or clarifying agent is disclosed. The composition may be synthesized or provided in many different forms, including multicarbon diacetals formed from carbohydrates. Once synthesized, the compound may be employed as an additive in a plastic composition, such as (for example) a polypropylene copolymer. Co-additives may also be employed. Several aryl structures may reside upon the hydrocarbon chain backbone. One structure of such an acetal-based composition which happens to have two aryl-containing groups is shown: wherein: n is 0, 1 or 2; Ar 1 and Ar 2 are independently selected from substituted or unsubstituted aryl-containing groups; and R is selected from the group consisting of: alkenyls, alkyls, alkoxy, hydroxyl alkyls, and alkyl-halides.

  本发明揭示了一种基于缩醛的组合物，可用作成核、凝胶、增稠或澄清剂。该组合物可以合成或以许多不同的形式提供，包括由碳水化合物形成的多碳二缩醛。一旦合成，该化合物可以作为添加剂用于塑料组合物中，例如聚丙烯共聚物。也可以使用共添加剂。几种芳基结构可以存在于烃链骨架上。其中一种具有两个含芳基的基团的缩醛基组合物的结构如下所示：其中：n为0、1或2；Ar1和Ar2独立选择自取代或未取代的含芳基团；R选择自烯丙基、烷基、烷氧基、羟基烷基和烷基卤代物的群。
• Calcium receptor modulating agents
  申请人：——

  公开号：US20040082625A1

  公开（公告）日：2004-04-29

  The compounds of the invention are represented by the following general structure 1 or a pharmaceutically acceptable salt thereof, and compositions containing them, wherein the variables are defined herein, and their use to reduce or inhibit PTH secretion, including methods for reducing or inhibiting PTH secretion and methods for treatment or prophylaxis of diseases associated with bone disorders, such as osteoporosis, or associated with excessive secretion of PTH, such as hyperparathyroidism. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  本发明的化合物由以下一般结构1或其药学上可接受的盐所代表，并且含有这些化合物的组合物，其中变量在此定义，并且它们的用途是减少或抑制PTH分泌，包括减少或抑制PTH分泌的方法以及用于治疗或预防与骨疾病相关的疾病，如骨质疏松症，或与PTH过度分泌相关的疾病，如甲状旁腺功能亢进症。本发明还涉及制备这些化合物的过程，以及在这些过程中有用的中间体。
• Symmetrical halogenated and alkylated alditol derivatives and compositions and articles containing same
  申请人：Milliken & Company

  公开号：US06547988B2

  公开（公告）日：2003-04-15

  Plastic additives which are useful as nucleating agents and which are especially useful for improving the optical properties of polymeric materials are provided. More particularly, this invention relates to certain alkyl (or alkoxy) substituted halo-benzylidene sorbitol acetals and polymer compositions thereof which may be utilized within, as merely examples, food or cosmetic containers and packaging. These inventive halogenated (that is, chlorinated, brominated, or iodinated) and alkylated benzylidene sorbitol acetals are also useful as gelling agents for water and organic solvents, particularly those used in the preparation of antiperspirant gel sticks.

  本发明提供了作为成核剂有用的塑料添加剂，特别是用于改善聚合物材料光学性能的添加剂。更具体地说，本发明涉及某些烷基（或烷氧基）取代的卤代苯甲醛山梨醇缩醛及其聚合物组合物，可以用于食品或化妆品容器和包装等领域。这些创新的卤代（即氯化、溴化或碘化）和烷基化苯甲醛山梨醇缩醛也可用作水和有机溶剂的凝胶剂，特别是用于制备止汗凝胶棒的溶剂中。