1-(3,5-二甲氧基-4-甲基-苯基)-乙酮 | 67097-00-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(3,5-二甲氧基-4-甲基-苯基)-乙酮
• 英文名称: 1-(3,5-dimethoxy-4-methylphenyl)ethanone
• 英文别名: 1-(3,5-dimethoxy-4-methylphenyl)ethan-1-one；1-(3,5-Dimethoxy-4-methyl-phenyl)-aethanon
• CAS: 67097-00-1
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: JJFQCUAKXXVLEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3,5-二甲氧基-4-甲基-苯基)-乙酮 在 N-溴代丁二酰亚胺(NBS) 、 正丁基锂 、 ammonium cerium (IV) nitrate 、 对甲苯磺酸 、 溶剂黄146 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 水 、 乙腈 、 苯 为溶剂， 反应 25.17h， 生成 2-(2-hydroxyethyl)-5,7-dimethoxy-3,6-dimethyl-3H-isoindol-1-one
  参考文献：
  名称：

  Biomimetic Synthesis of Isoindolinones Related to the Marilines

  摘要：

  The non-enzymatic formation of the racemic isoindolinone core structure during the biosynthesis of the marine natural products mariline A and B was mimicked by employing structurally closely related model substrates. Thus, condensation of 2-formyl-3,5-dimethoxy-4-methyl-acetophenone with different primary amines in the presence of AcOH afforded the isoindolinone products in up to 73% yield.

  DOI：

  10.1055/s-0034-1380700
• 作为产物：
  描述：

  3,5-二甲氧基-4-甲基苯甲酸 、 甲基锂 以 乙醚 、 正己烷 为溶剂， 以85%的产率得到1-(3,5-二甲氧基-4-甲基-苯基)-乙酮
  参考文献：
  名称：

  Biomimetic Synthesis of Isoindolinones Related to the Marilines

  摘要：

  The non-enzymatic formation of the racemic isoindolinone core structure during the biosynthesis of the marine natural products mariline A and B was mimicked by employing structurally closely related model substrates. Thus, condensation of 2-formyl-3,5-dimethoxy-4-methyl-acetophenone with different primary amines in the presence of AcOH afforded the isoindolinone products in up to 73% yield.

  DOI：

  10.1055/s-0034-1380700

文献信息

• 8-Substituted isoquinoline derivative and the use thereof
  申请人：Kaneko Shunsuke

  公开号：US20100261701A1

  公开（公告）日：2010-10-14

  The present invention relates to a compound represented by the following formula (1): wherein D 1 , A 1 , D 2 , R 1 , D 3 , and R 2 each have the same meaning as defined in the present specification or a salt thereof. The compound represented by the formula (1) or a salt thereof has an IKKβ inhibiting activity and the like and is useful for the prevention and/or treatment of IKKβ-associated diseases or symptoms and the like.

  本发明涉及一种由以下式（1）表示的化合物： 其中D1，A1，D2，R1，D3和R2分别具有与本说明书中定义的相同含义或其盐。由式（1）表示的化合物或其盐具有IKKβ抑制活性等，对于预防和/或治疗IKKβ相关疾病或症状等方面是有用的。
• DERIVATIVES OF HETEROCYCLES WITH 5 MEMBERS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  申请人：CHABRIER DE LASSAUNIERE Pierre-Etienne

  公开号：US20110172434A1

  公开（公告）日：2011-07-14

  The invention relates to thiazole, oxazole, imidazole, isoxazole and isoxazoline derivatives of general formula (I) wherein Het is thiazole, oxazole, imidazole, isoxazole or isoxazoline, n is an integer from 0 to 6, A is notably selected from various optionally substituted aromatic radicals, B is notably hydrogen, alkyl or phenyl, R 1 and R 2 are notably independently hydrogen, alkyl or cycloalkyl and Ω is —NR 46 R 47 or —OR 48 , R 46 and R 47 are notably independently hydrogen, alkyl, cycloalkyl or —(CH 2 ) k —COOR 51 , R 51 is notably alkyl or haloalkyl and R 48 is notably hydrogen or alkyl. These compounds have advantageous pharmacological properties which allow their use in therapeutics, notably for treating neurodegenerative disorders or pain.

  本发明涉及通式（I）的噻唑，噁唑，咪唑，异噁唑和异噁唑啉衍生物，其中Het为噻唑，噁唑，咪唑，异噁唑或异噁唑啉，n为0至6的整数，A特别选择自各种可选取代的芳香基团，B特别为氢，烷基或苯基，R1和R2特别独立地为氢，烷基或环烷基，Ω为—NR46R47或—OR48，R46和R47特别独立地为氢，烷基，环烷基或—(CH2)k—COOR51，R51特别为烷基或卤代烷基，R48特别为氢或烷基。这些化合物具有有利的药理学性质，可以在治疗中使用，特别用于治疗神经退行性疾病或疼痛。
• Lead generation from N-[benzyl(4-phenylbutyl)carbamoyl]amino acid as a novel LPA1 antagonist for the treatment of systemic sclerosis
  作者：Yuki Kobayashi、Fumito Uneuchi、Takumi Naruse、Daisuke Matsuda、Lisa Okumura-Kitajima、Hiromitsu Kajiyama、Reiko Wada、Yuki Yonemoto、Koichiro Nakano、Hidetoh Toki、Shunsuke Kamigaso、Jyunya Yamagishi、Seiken Tokura、Hiroyuki Kakinuma、Shoichi Kuroda

  DOI：10.1016/j.ejmech.2023.115749

  日期：2023.11

  Lysophosphatidic acid (LPA), a bioactive phospholipid, binds to the G protein-coupled LPA1 receptor on the surfaces of immune cells, to promote progression of fibrosis of the skin and organs through inducing infiltration of immune cells into tissues, chemokine production, inflammatory cytokine production, and fibroblast transformation. Anti-fibrotic effects of LPA1 blockade have been reported in animal

  溶血磷脂酸 (LPA)是一种生物活性磷脂，与免疫细胞表面的 G 蛋白偶联LPA 1受体结合，通过诱导免疫细胞浸润到组织、趋化因子产生、炎症等来促进皮肤和器官纤维化的进展。细胞因子的产生和成纤维细胞的转化。在硬皮病动物模型和硬皮病患者中已经报道了LPA 1阻断的抗纤维化作用。在本文报道的研究中，我们从我们的内部库中鉴定出新型尿素化合物 5 是具有 LPA1 拮抗剂活性的热门化合物，并利用基于结构的药物设计 (SBDD) 方法通过结构转化合成了先导化合物 TP0541640 (18) 。化合物18具有有效的体外LPA 1拮抗剂活性，并且对LPA诱导的小鼠组胺释放表现出剂量依赖性抑制作用。此外，18显着抑制博来霉素诱导的皮肤纤维化小鼠模型中的胶原蛋白生成和皮肤增厚。在这里，我们更详细地描述了化合物设计策略和体内研究。
• 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF
  申请人：Asahi Kasei Pharma Corporation

  公开号：EP2366699A1

  公开（公告）日：2011-09-21

  The present invention relates to a compound represented by the following formula (1): wherein D1, A1, D2, R1, D3, and R2 each have the same meaning as defined in the present specification or a salt thereof. The compound represented by the formula (1) or a salt thereof has an IKKβ inhibiting activity and the like and is useful for the prevention and/or treatment of IKKβ-associated diseases or symptoms and the like.

  本发明涉及下式（1）所代表的化合物： 其中 D1、A1、D2、R1、D3 和 R2 各具有与本说明书中定义相同的含义或其盐。式（1）代表的化合物或其盐具有 IKKβ 抑制活性等，可用于预防和/或治疗 IKKβ 相关疾病或症状等。
• Use of Aliphatic Carboxylic Acid Derivatives for NHC/Photoredox-Catalyzed meta-Selective Acylation of Electron-Rich Arenes
  作者：Hirohisa Ohmiya、Yamato Goto、Sho Murakami、Yuto Sumida

  DOI：10.1055/a-2281-2975

  日期：2024.11

  We describe the use of acyl imidazoles derived from aliphatic carboxylic acids for the N-heterocyclic carbene/organic photoredox co-catalyzed meta-selective functionalization of electron-rich arenes. Compared to our previous work, a change of the wavelength of the applied LED light from 440 nm to 390 nm promotes this reaction efficiently.

  我们描述了使用衍生自脂肪族羧酸的酰基咪唑用于N-杂环卡宾/有机光氧化还原共催化富电子芳烃的间位选择性官能化。与我们之前的工作相比，所应用的 LED 光的波长从 440 nm 变为 390 nm 有效地促进了这种反应。