4-乙氧基-6-甲基嘧啶 | 4718-50-7

• 物质功能分类: 医药中间体 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-乙氧基-6-甲基嘧啶
• 中文别名: 4-甲基-6-乙氧基嘧啶
• 英文名称: 4-ethoxy-6-methylpyrimidine
• 英文别名: 4-Aethoxy-6-methyl-pyrimidin；4-Methyl-6-aethoxy-pyrimidin
• CAS: 4718-50-7
• 化学式: C₇H₁₀N₂O
• mdl: MFCD01646196
• 分子量: 138.169
• InChiKey: QLDRYHLVZLBDNF-UHFFFAOYSA-N

物化性质

• 熔点：
  182-183 °C
• 沸点：
  85 °C(Press: 3 Torr)
• 密度：
  1.041±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  4-乙氧基-6-甲基嘧啶 在 硫酸 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 6-bis(piperidinomethyl)methyl-4(3H)-pyrimidinone
  参考文献：
  名称：

  Yamanaka, Hiroshi; Ogawa, Shigeru; Konno, Shoetsu, Chemical and pharmaceutical bulletin, 1980, vol. 28, # 5, p. 1526 - 1533

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-6-甲基嘧啶 、 sodium ethanolate 生成 4-乙氧基-6-甲基嘧啶
  参考文献：
  名称：

  Yamanaka, Chemical and pharmaceutical bulletin, 1958, vol. 6, p. 633,634

  摘要：

  DOI：

文献信息

• NOVEL COMPOUNDS
  申请人：GRAUERT Matthias

  公开号：US20130184248A1

  公开（公告）日：2013-07-18

  This invention relates to compounds of formula I their use as positive allosteric modulators of mGlu5 receptor activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of neurological and psychiatric disorders associated with glutamate dysfunction such as schizophrenia or cognitive decline such as dementia or cognitive impairment. A, B, Ar, R 1 , R 2 , R 3 have meanings given in the description.

  这项发明涉及到式I的化合物，它们作为mGlu5受体活性的正向变构调节剂的用途，含有这些化合物的药物组合物，以及将其用作治疗和/或预防与谷氨酸功能障碍相关的神经和精神疾病，如精神分裂症或认知功能下降，如痴呆症或认知障碍的药剂的方法。A、B、Ar、R1、R2、R3在描述中有给定的含义。
• IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION
  申请人：LEBAN Johann

  公开号：US20120196861A1

  公开（公告）日：2012-08-02

  The present invention relates to compounds of the general formula (I), and the pharmaceutically acceptable salt or solvate thereof, as anti-inflammatory and immunomodulatory agents.

  本发明涉及通式（I）的化合物，以及其药用可接受的盐或溶剂，作为抗炎和免疫调节剂。
• Studies on Nitrofuran Derivatives. IV. Synthesis of 2- or 4-[2-(5-Nitro-2-furyl) vinyl] pyrimidine Derivatives
  作者：Akio Fujita、Tadatsugu Yamamoto、Shinsaku Minami、Hideji Takamatsu

  DOI：10.1248/cpb.13.1183

  日期：——

  To test the antibacterial activity, 2- or 4-[2-(5-nitro-2-furyl) vinyl] pyrimidines were synthesized by the condensation of 5-nitro-2-furaldehyde (Va) with the active methyl group of pyrimidines. It has been found that Va predominantly condensed with the 4-methyl group of 2, 4-dimethylpyrimidine and in the reaction of Va with 2, 4-dimethylpyrimidine containing a functional group in the 6-position, the active hydrogen reactivity between the 2-methyl group and 4-methyl group is affected by the presence of group in the 6-position : in 2, 4-dimethylpyrimidines substituted by the hydroxy, amino and alkoxy group in the 6-position, the 2-methyl group was founded to be more active, while in the ones substituted by the acetamido, dimethylamino and chloro group, the 4-methyl group was more reactive.

  为了测试抗菌活性，通过 5-硝基-2-呋喃甲醛（Va）与嘧啶的活性甲基缩合，合成了 2-或 4-[2-（5-硝基-2-呋喃基）乙烯基]嘧啶。研究发现，Va 主要与 2，4-二甲基嘧啶的 4-甲基缩合，在 Va 与 6 位含有官能团的 2，4-二甲基嘧啶反应时，2-甲基和 4-甲基之间的活性氢反应性受 6 位官能团的影响：在 6 位被羟基、氨基和烷氧基取代的 2，4-二甲基嘧啶中，2-甲基基团的活性更高，而在被乙酰氨基、二甲基氨基和氯基团取代的 2，4-二甲基嘧啶中，4-甲基基团的活性更高。
• PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2
  申请人：Chan Brayn

  公开号：US20130267513A1

  公开（公告）日：2013-10-10

  A compound of formula Ia or formula Ib, or a pharmaceutically acceptable salt or ester thereof, wherein R 1 is selected from: aryl; heteroaryl; —NHR 3 ; fused aryl-C 4-7 -heterocycloalkyl; —CONR 4 R 5 ; —NHCOR 6 ; —C 3-7 -cycloalkyl; -0-C 3-7 -cycloalkyl; —NR 3 R 6 ; and optionally substituted —C 1-6 alkyl; wherein said aryl, heteroaryl, fused aryl-C 4-7 -heterocycloalkyl and C 4-7 -heterocycloalkyl are each optionally substituted; Q is CN, halogen, or is selected from C 1-6 -alkyl, C 3-7 -cycloalkyl, heterocycloalkyl, aryl and heteroaryl, each of which is optionally substituted with one or more substituents A; R 2 is selected from hydrogen, aryl, C 1-6 -alkyl, C 2-6 -alkenyl, C 3-7 -cycloalkyl, heteroaryl, C 4-7 -heterocycloalkyl and halogen, wherein said C 1-6 -alkyl, Cz-B-alkenyl, aryl, heteroaryl and C 4-7 -heterocycloalkyl are each optionally substituted; R 3 is selected from aryl, heteroaryl, C 4-7 -heterocycloalkyl, C 3-7 -cycloalkyl, fused aryl-C-heterocycloalkyl and C 1-6 -alkyl, each of which is optionally substituted; R 4 and R 5 are each independently hydrogen, or optionally substituted C 3-7 -cycloalkyl, aryl, heteroaryl, C 1-6 -alkyl or C 3-6 -heterocycloalkyl; or R 4 and R 5 together with the N to which they are attached form a C 3-6 -heterocycloalkyl ring; each R 6 is independently selected from C 1-6 -alkyl, C 3-7 -cycloalkyl, C-heterocycloalkyl, aryl and heteroaryl, each of which is optionally substituted; each R 7 is selected from hydrogen, optionally substituted C 1-6 -alkyl and C 3-7 -cycloalkyl; each of R 8 and R 9 is independently hydrogen or optionally substituted C 1-6 -alkyl; or R 8 and R 9 together with the N to which they are attached form a C 4-6 -heterocycloalkyl; each R 10 is selected from C 3-7 -cycloalkyl and optionally substituted C 1-6 -alkyl; each R 11 is independently selected from C 1-6 -alkyl, C 3-7 -cycloalkyl, C 1-6 -alkyl-C 3-7 -cycloalkyl, C 4-7 -heterocycloalkyl, aryl and heteroaryl, each of which is optionally substituted; A is selected from halogen, —NR 4 S0 2 R 5 , —CN, —OR 6 , —NR 4 R 5 , —NR 7 R 11 , hydroxyl, —CF 3 , —CONR 4 R 5 , —NR 4 COR 5 , —NR 7 (CO)NR 4 R 5 , —N0 2 , —C0 2 H, —C0 2 R 6 , —S0 2 R 6 , —S0 2 NR 4 R 5 , —NR 4 COR 5 , —NR 4 COOR 5 , 6 -alkyl and —COR 6 . Further aspects relate to pharmaceutical compositions, therapeutic uses and process for preparing compounds of formulae Ia and Ib.

  公式Ia或公式Ib的化合物，或其药学上可接受的盐或酯，其中R1选自：芳基；杂环芳基；-NHR3；融合芳基-C4-7-杂环烷基；-CONR4R5；-NHCOR6；-C3-7-环烷基；-0-C3-7-环烷基；-NR3R6；和可选取代的-C1-6烷基；其中所述的芳基、杂环芳基、融合芳基-C4-7-杂环烷基和C4-7-杂环烷基均可选取代基；Q为CN、卤素，或选自C1-6烷基、C3-7-环烷基、杂环烷基、芳基和杂环芳基，每种基均可选取代基A；R2选自氢、芳基、C1-6烷基、C2-6烯基、C3-7-环烷基、杂环芳基、C4-7-杂环烷基和卤素，其中所述的C1-6烷基、C2-6烯基、芳基、杂环芳基和C4-7-杂环烷基均可选取代基；R3选自芳基、杂环芳基、C4-7-杂环烷基、C3-7-环烷基、融合芳基-C-杂环烷基和C1-6烷基，每种基均可选取代基；R4和R5各自独立地为氢，或可选取代的C3-7-环烷基、芳基、杂环芳基、C1-6烷基或C3-6-杂环烷基；或R4和R5与它们连接的N一起形成C3-6-杂环烷基环；每个R6各自选自C1-6烷基、C3-7-环烷基、C-杂环烷基、芳基和杂环芳基，每种基均可选取代基；每个R7选自氢、可选取代的C1-6烷基和C3-7-环烷基；每个R8和R9各自独立地为氢或可选取代的C1-6烷基；或R8和R9与它们连接的N一起形成C4-6-杂环烷基；每个R10选自C3-7-环烷基和可选取代的C1-6烷基；每个R11各自独立地选自C1-6烷基、C3-7-环烷基、C1-6-烷基-C3-7-环烷基、C4-7-杂环烷基、芳基和杂环芳基，每种基均可选取代基；A选自卤素、-NR4S02R5、-CN、-OR6、-NR4R5、-NR7R11、羟基、-CF3、-CONR4R5、-NR4COR5、-NR7(CO)NR4R5、-N02、-C02H、-C02R6、-S02R6、-S02NR4R5、-NR4COR5、-NR4COOR5、6-烷基和-COR6。此外，还涉及公式Ia和Ib的化合物的制备过程、药物组合物和治疗用途。
• Heteroarylbenzimidazole compounds
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US10894784B2

  公开（公告）日：2021-01-19

  The present invention covers heteroarylbenzimidazole compounds of general formula (I) in which R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative and/or inflammatory disorders, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）的杂芳基苯并咪唑化合物（其中 R1、R2、R3、R4 和 R5 如本文所定义）、制备所述化合物的方法、用于制备所述化合物的中间体化合物、包含所述化合物的药物组合物和组合物，以及使用所述化合物制造药物组合物，用于治疗或预防疾病，特别是过度增殖性疾病和/或炎症性疾病，作为单独制剂或与其他活性成分组合使用。