2-methyl-4-ethylbenzaldehyde | 1085524-24-8

• 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-methyl-4-ethylbenzaldehyde
• 英文别名: 4-Ethyl-2-methylbenzaldehyde
• CAS: 1085524-24-8
• 化学式: C₁₀H₁₂O
• 分子量: 148.205
• InChiKey: STDAPSJLHHSAPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 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：

  2-methyl-4-ethylbenzaldehyde 、 在 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 生成 (2S)-N-tert-Butyl-3-[[(4-ethyl-2-methylphenyl)methyl]amino]-2-[[[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]-propanamide
  参考文献：
  名称：

  Capped diaminopropionamide–glycine dipeptides are inhibitors of CC chemokine receptor 2 (CCR2)

  摘要：

  A new series of CCR2 antagonists has been discovered that incorporates intramolecular hydrogen bonding as a strategy for rigidifying the scaffold. The structure-activity relationship was established through initial systematic modification of substitution pattern and chain length, followed by independent optimization of three different substituents (benzylamine, carboxamide, and benzamide). Several of the acyclic compounds display 10-30 nM binding affinity for CCR2. Moreover, these antagonists are able to block both MCP-1-induced Ca2+ flux and monocyte chemotaxis, and are selective for binding to CCR2 over CCR1 and CCR3. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.028
• 作为产物：
  描述：

  一氧化碳 、 3-乙基甲苯 在 氢氟酸 、 三氟化硼 作用下， 生成 2-ethyl-4-methyl-benzaldehyde 、 2-methyl-4-ethylbenzaldehyde
  参考文献：
  名称：

  METHOD FOR PRODUCING 2,4-DIALKYLBENZALDEHYDE

  摘要：

  An object of the present invention is to provide a method for producing 2,4-dialkylbenzaldehyde with excellent conversion rate and yield, and excellent regioselectivity for formylation, by allowing carbon monoxide to react on a starting material containing a specific m-dialkylbenzene in the presence of hydrogen fluoride and boron trifluoride. The method for producing 2,4-dialkylbenzaldehyde according to the present invention comprises a step of allowing carbon monoxide to react on a starting material containing m-dialkylbenzene represented by formula (1) in the presence of hydrogen fluoride and boron trifluoride for formylation at least at a position (a), wherein the starting material is a dialkylbenzene containing more than 90 mol % of m-dialkylbenzene represented by formula (1), and the number of moles of boron trifluoride relative to 1 mole of m-dialkylbenzene represented by formula (1) is 0.7 mol or more and 3.0 mol or less: a wherein R 1 represents an alkyl group having 1 or more and 3 or less carbon atoms, and R 2 represents a chain or cyclic alkyl group having 2 or more and 7 or less carbon atoms, with a secondary or tertiary carbon at the benzylic position, provided that the number of carbons of R 2 is larger than the number of carbons of R 1 .

  公开号：

  US20240132434A1

文献信息

• Synthesis of R-N-methylnaltrexone
  申请人：Doshan D. Harold

  公开号：US20070099946A1

  公开（公告）日：2007-05-03

  This invention relates to stereoselective synthesis of R-MNTX and intermediates thereof, pharmaceutical preparations comprising R-MNTX or intermediates thereof and methods for their use.

  本发明涉及R-MNTX和其中间体的立体选择性合成，包括R-MNTX或其中间体的制药制剂以及使用它们的方法。
• Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases
  申请人：Bamford Mark James

  公开号：US20080255358A1

  公开（公告）日：2008-10-16

  Disclosed are imidazopyridine compounds having the formula:

  揭示了具有以下式子的咪唑吡啶化合物：
• SYNTHESIS OF R-N-METHYLNALTREXONE
  申请人：Progenics Pharmaceuticals, Inc.

  公开号：US20130323286A1

  公开（公告）日：2013-12-05

  This invention relates to stereoselective synthesis of R-MNTX and intermediates thereof, pharmaceutical preparations comprising R-MNTX or intermediates thereof and methods for their use.

  本发明涉及R-MNTX的立体选择性合成及其中间体，包含R-MNTX或其中间体的制药制剂和使用方法。
• SYNTHESIS OF (R)-N-METHYLNALTREXONE
  申请人：Progenics Pharmaceuticals, Inc.

  公开号：US20150057303A1

  公开（公告）日：2015-02-26

  This invention relates to stereoselective synthesis of R-MNTX and intermediates thereof, pharmaceutical preparations comprising R-MNTX or intermediates thereof and methods for their use.

  本发明涉及R-MNTX的立体选择性合成及其中间体、含有R-MNTX或其中间体的制药制剂以及使用它们的方法。
• Novel aldehyde adducts of triamterene and a pharmaceutical composition containing the same
  申请人：Merck & Co., Inc.

  公开号：EP0032725A1

  公开（公告）日：1981-07-29

  The invention provides novel aldehyde adducts of triamterene having improved solubility and bioavailability as compared to triamterene. Pharmaceutical compositions containing the novel adducts and having diuretic activity are also described.

  本发明提供了新型三苯氧胺醛加合物，与三苯氧胺相比，其溶解度和生物利用度均有所提高。 本发明还描述了含有新型加合物并具有利尿活性的药物组合物。