4-Methyl-benzofuro<2,3-b>pyridine | 53421-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 4-Methyl-benzofuro<2,3-b>pyridine
• 英文别名: 4-methyl-benzo[4,5]furo[2,3-b]pyridine；4-Methylbenzofuro[2,3-b]pyridine；4-methyl-[1]benzofuro[2,3-b]pyridine
• CAS: 53421-02-6
• 化学式: C₁₂H₉NO
• 分子量: 183.21
• InChiKey: VSUFJQOLWPKCOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  26
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-Phenoxy-3-amino-4-methylpyridin 生成 4-Methyl-benzofuro<2,3-b>pyridine
  参考文献：
  名称：

  Synthesis of methyl-substituted benzofuro-, benzothieno-, and benzoselenopheno[2,3-b] pyridines

  摘要：

  DOI：

  10.1007/bf00480926

文献信息

• Organic Electroluminescent Materials and Devices
  申请人：Universal Display Corporation

  公开号：US20200274081A1

  公开（公告）日：2020-08-27

  A compound of Formula I wherein: ring B is a 5-membered heterocyclic ring, or a 6-membered carbocyclic ring; each of X 1 and X 2 is independently C, CR, or N, with at least one of them being C; each of X 3 -X 11 is independently C, CR, or N, with at least one of them being N, and two adjacent of X 3 -X 7 are carbon-fused to the shown moiety through the linkage indicated by the two squiggly lines; Y is selected from the group consisting of O, S, Se, NR′, CR′R″, and SiR′R″; each of R A and R B independently represents zero, mono, or up to a maximum allowed substitution to its associated ring; each of R, R′, R″, R A , and R B is independently a hydrogen or a substituent selected from the group consisting of —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 , deuterium, halogen, alkyl, cycloalkyl, heteroalkyl, heterocycloalkyl, arylalkyl, alkoxy, aryloxy, amino, silyl, boryl, alkenyl, cycloalkenyl, heteroalkenyl, alkynyl, aryl, heteroaryl, acyl, carboxylic acid, ether, ester, nitrile, isonitrile, sulfanyl, sulfinyl, sulfonyl, phosphino, and combinations thereof, with at least one of R A or R B comprising —SiR 1 R 2 R 3 or —GeR 1 R 2 R 3 ; each of R 1 , R 2 , and R 3 is independently selected from the group consisting of alkyl, aryl group, heteroaryl group, and combinations thereof; and any two substituents are optionally joined or fused to form a ring where chemically feasible.

  根据公式I的化合物 其中： 环B是5元的杂环，或者是6元的碳环； X1和X2各自独立为C、CR或N，其中至少有一个是C； X3-X11各自独立为C、CR或N，其中至少有一个是N，并且X3-X7的两个相邻碳与所示基团通过波浪线指示的连接方式碳融合； Y选自由O、S、Se、NR'、CR'R"和SiR'R"组成的组； RA和RB各自独立代表其相关环允许的最大取代数，零、单或至多； R、R'、R"、RA和RB各自独立为氢或选自—SiR1R2R3或—GeR1R2R3，氘，卤素，烷基，环烷基，杂烷基，杂环烷基，芳烷基，烷氧基，芳氧基，氨基，硅基，硼基，烯基，环烯基，杂烯基，炔基，芳基，杂芳基，酰基，羧酸，醚，酯，腈，异腈，硫anyl，亚磺酰基，磺酰基，磷基和它们的组合的取代基，其中至少一个RA或RB包含—SiR1R2R3或—GeR1R2R3； R1、R2和R3各自独立选自烷基，芳基组，杂芳基组和它们的组合；并且 任意两个取代基可选择性连接或融合成环，在化学上可行的话。
• [EN] NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION<br/>[FR] NOUVEAUX INHIBITEURS DE PHOSPHODIESTÉRASES, COMPOSITIONS PHARMACEUTIQUES LES CONTENANT ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：MATRIX LAB LTD

  公开号：WO2009147476A1

  公开（公告）日：2009-12-10

  The present invention relates to novel heterocyclic compounds of general formula (I), which are phosphodiesterase inhibitors (PDEs), in particular phosphodiesterase type 4 inhibitors, pharmaceutical compositions containing them, and processes for their preparation. These novel PDEs are useful in treating allergic and inflammatory diseases (such as asthma, COPD, allergic rhinitis, allergic conjunctivitis, respiratory distress syndrome, chronic bronchitis, nephritis, rheumatoid spondylitis, osteoarthritis, atopic dermatitis, eosinophilic granuloma, psoriasis, rheumatoid septic shock, ulcerative colitis, multiple sclerosis, chronic inflammation, Crohn's syndrome and central nervous system(CNS) disorders) and for inhibiting the production of Tumor Necrosis Factor(TNF-α).

  本发明涉及一种新型杂环化合物，其一般式为(I)，它们是磷酸二酯酶抑制剂（PDEs），特别是磷酸二酯酶4型抑制剂，包含它们的制药组合物以及它们的制备方法。这些新型PDEs在治疗过敏和炎症性疾病（如哮喘、慢性阻塞性肺病、过敏性鼻炎、过敏性结膜炎、呼吸窘迫综合征、慢性支气管炎、肾炎、类风湿脊柱炎、骨关节炎、特应性皮炎、嗜酸性肉芽肿、银屑病、类风湿败血症、溃疡性结肠炎、多发性硬化症、慢性炎症、克罗恩综合征和中枢神经系统（CNS）疾病）以及抑制肿瘤坏死因子（TNF-α）的产生方面具有用途。
• METALLKOMPLEXE
  申请人：Merck Patent GmbH

  公开号：EP3254317B1

  公开（公告）日：2019-07-31