2,4-二氟-5-甲基苯甲醛 | 315204-36-5

• 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: 2,4-二氟-5-甲基苯甲醛
• 中文别名: 2,6-二氟-5-甲基苯甲醛
• 英文名称: 2,4-difluoro-5-methylbenzaldehyde
• 英文别名: 2,4-difluoro-5-methyl-benzaldelhyde
• CAS: 315204-36-5
• 化学式: C₈H₆F₂O
• 分子量: 156.132
• InChiKey: LYSSOMVTHYLRAM-UHFFFAOYSA-N

物化性质

• 沸点：
  199.0±35.0 °C(Predicted)
• 密度：
  1.241±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2913000090

反应信息

• 作为反应物：
  描述：

  2,4-二氟-5-甲基苯甲醛 在 氢氧化钾 、 lithium aluminium tetrahydride 、 甲基磺酰氯 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 为溶剂， 生成 2,4-difluoro-5-methylphenethylamine
  参考文献：
  名称：

  Application of the Ugi four-component condensation reaction for the synthesis of α,α- and α,β-dipeptides substituted with fluoroarylalkyl pendent groups†

  摘要：

  我们报道了一步合成法，基于Ugi四组分缩合反应，涉及先前未知的含氟芳香基团连接到氮原子的α,α-和α,β-二肽2和8的新型化合物。

  DOI：

  10.1039/b007455l
• 作为产物：
  描述：

  哌啶-1-甲醛 、 以 四氢呋喃 、 乙醚 为溶剂， 反应 0.5h， 以87%的产率得到2,4-二氟-5-甲基苯甲醛
  参考文献：
  名称：

  Syntheses of 1-[(2-Hydroxyethoxy)methyl]- and 1-[(1,3-Dihydroxy-2-Propoxy)methyl]- Derivatives of 5-Substituted-2,4-difluorobenzene: Unnatural Acyclo Thymidine Mimics for Evaluation as Anticancer and Antiviral Agents

  摘要：

  A group of 1 -[(2-hydroxyethoxy)methyl] - (12) and 1-[(1,3-dihydroxy-2-propoxy)methyl]- (13) derivatives of 2,4-difluorobenzene possessing a variety of C-5 substituents (R = Me, H, I, NO(2)) were designed with the expectation that they may serve as acyclic 5-substituted-2'-deoxyuridine (thymidine) mimics. Compounds 12 and 13 (R= Me, H, I) were inactive as anticancer agents (CC(50) = 10(-3) to 10(-4) M range), whereas the 5-nitro compounds (12d, 13d) exhibided weak-to-moderate cytotoxicity (ICC(50) = 10(-5) to 10(-6) M range) against a variety of cancer cell lines. All compounds prepared (12a-d, 13a-d) were inactive as antiviral agents in a broad-spectrum antiviral screen that also included the human immunodeficiency virus (HIV-1 and HIV-2) and herpes simplex virus(HSV-1 and HSV-2).

  DOI：

  10.1080/15257770008033850

文献信息

• [EN] CYCLOBUTENEDIONE DERIVATIVES<br/>[FR] DÉRIVÉS DE CYCLOBUTÈNE-DIONE
  申请人：PFIZER LTD

  公开号：WO2010131145A1

  公开（公告）日：2010-11-18

  The present invention relates to compounds of the formula (I): to pharmaceutically acceptable salts therefore and to pharmaceutically acceptable solvates of said compounds and salts, wherein the substituents are defined herein; to compositions containing such compounds; and to the uses of such compounds in the treatment of various diseases, particularly inflammatory conditions.

  本发明涉及以下式(I)的化合物：以及其药学上可接受的盐和所述化合物及盐的药学上可接受的溶剂化物，其中取代基在此处定义；含有这种化合物的组合物；以及这种化合物在治疗各种疾病，特别是炎症性疾病中的用途。
• D3 AND 5-HT2A RECEPTOR MODULATORS
  申请人：Gobbi Luca

  公开号：US20100075983A1

  公开（公告）日：2010-03-25

  The present invention provides compounds of the general formula (I) wherein X, n and R 1 are as described herein, as well as pharmaceutically acceptable salts and esters thereof, methods for their manufacture, pharmaceutical compositions containing them and their use as medicaments. The active compounds of the present invention are dual modulators of the serotonin 5-HT 2a and dopamine D 3 receptors, useful in the treatment and/or the prevention of cognitive disorders, drug addiction, depression, anxiety, drug dependence, dementias, memory impairment, psychotic disorders comprising schizophrenia, schizoaffective disorders, bipolar disease, mania, psychotic depression, and psychoses comprising paranoia and delusions.

  本发明提供了一般式(I)的化合物，其中X、n和R1如本文所述，以及其药学上可接受的盐和酯，其制备方法，含有它们的药物组合物以及它们作为药物的用途。本发明的活性化合物是血清素5-HT2a和多巴胺D3受体的双调节剂，在认知障碍、药物成瘾、抑郁症、焦虑症、药物依赖、痴呆症、记忆障碍、包括精神分裂症、情感性精神障碍、双相情感障碍、躁狂症、精神抑郁症以及偏执狂和妄想的精神病等的治疗和/或预防中有用。
• [EN] 1,4 DI SUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS<br/>[FR] DÉRIVÉS 1,4 DI SUBSTITUÉS PYROLIDINE-3-YL-AMINE ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES MÉTABOLIQUES
  申请人：PROSIDION LTD

  公开号：WO2012066077A1

  公开（公告）日：2012-05-24

  Therapeutic compounds are disclosed having the general formula (1) that are useful for the treatment of metabolic disorders, including type II diabetes.The compounds have activity as agonists of GPR1 19. Compounds having the stereochemistry of formula (la) may also demonstrate DPP-IV inhibitory activity.

  揭示了具有一般式（1）的治疗化合物，可用于治疗代谢性疾病，包括2型糖尿病。这些化合物具有作为GPR1 19激动剂的活性。具有式（la）的立体化学构型的化合物也可能表现出DPP-IV抑制活性。
• [EN] 1,4 DISUBSTITUTED PYRROLIDINE - 3 - YL -AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF METABOLIC DISORDERS<br/>[FR] DÉRIVÉS DE PYROLIDIN-3-YL-AMINE 1,4 DISUBSTITUÉE ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES MÉTABOLIQUES
  申请人：PROSIDION LTD

  公开号：WO2013026587A1

  公开（公告）日：2013-02-28

  Therapeutic compounds are disclosed having the general formula (I) that are useful for the treatment of metabolic disorders, including type II diabetes. The compounds have activity as agonists of GPR1 19. Compounds having stereochemistry of formula (la) may also demonstrate DPP-IV inhibitory activity.

  揭示了具有一般式(I)的治疗化合物，可用于治疗代谢性疾病，包括2型糖尿病。这些化合物具有作为GPR1 19激动剂的活性。具有一般式(la)立体化学的化合物也可能表现出DPP-IV抑制活性。
• Application of the Ugi four-component condensation reaction for the synthesis of α,α- and α,β-dipeptides substituted with fluoroarylalkyl pendent groups†
  作者：Norio Shibata、Biplab Kumar Das、Yoshio Takeuchi

  DOI：10.1039/b007455l

  日期：——

  We report a single step synthesis based on the Ugi four-component condensation of previously unknown α,α- and α,β-dipeptides, 2 and 8, having fluoroaromatic groups appended to the nitrogen atom.

  我们报道了一步合成法，基于Ugi四组分缩合反应，涉及先前未知的含氟芳香基团连接到氮原子的α,α-和α,β-二肽2和8的新型化合物。