5-甲基-3-呋喃甲酸甲酯 | 35351-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 5-甲基-3-呋喃甲酸甲酯
• 中文别名: 5-甲基-3-呋喃羧酸甲酯
• 英文名称: methyl 5-methyl-3-furoate
• 英文别名: Methyl 5-methylfuran-3-carboxylate
• CAS: 35351-35-0
• 化学式: C₇H₈O₃
• 分子量: 140.139
• InChiKey: UTBIHCRVZWPDGB-UHFFFAOYSA-N

物化性质

• 沸点：
  80-83 °C(Press: 29 Torr)
• 密度：
  1.108±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：
  0.29
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2932190090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥环境中保存。

反应信息

• 作为反应物：
  描述：

  5-甲基-3-呋喃甲酸甲酯 在 lithium aluminium tetrahydride 、 重铬酸吡啶 作用下， 生成 2-methyl-4-furaldehyde
  参考文献：
  名称：

  EFFICIENT SYNTHESIS OF ACETOXYFIMBROLIDES AND BECKERELIDES ANALOGS

  摘要：

  已经开发出一种高效合成乙酰氧基芬布罗和贝克雷类类似物的方法，关键合成步骤是对2-甲基-4-(1-乙酰氧基丁基)呋喃进行过氧酸氧化。产品的抗微生物活性也进行了测试。

  DOI：

  10.1246/cl.1983.1007
• 作为产物：
  描述：

  2-Formyl-4-oxo-pentanoic acid methyl ester 在 Amberlyst H-15 作用下， 以 苯 为溶剂， 反应 2.0h， 以56%的产率得到5-甲基-3-呋喃甲酸甲酯
  参考文献：
  名称：

  EFFICIENT SYNTHESIS OF ACETOXYFIMBROLIDES AND BECKERELIDES ANALOGS

  摘要：

  已经开发出一种高效合成乙酰氧基芬布罗和贝克雷类类似物的方法，关键合成步骤是对2-甲基-4-(1-乙酰氧基丁基)呋喃进行过氧酸氧化。产品的抗微生物活性也进行了测试。

  DOI：

  10.1246/cl.1983.1007

文献信息

• [EN] 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS<br/>[FR] DÉRIVÉS DE 5,6,7,8-TÉTRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZINE COMME MODULATEURS DE P2X7
  申请人：GLAXO GROUP LTD

  公开号：WO2010125102A1

  公开（公告）日：2010-11-04

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof wherein A is hydrogen, C1-4alkyl, C3-6cycloalkyl, C1-3alkoxy, C1-3alkoxy C1-4alkyl, C1-2fluoroalkyl, halogen, NR6 R7, optionally substituted heteroaryl (Het), or optionally substituted phenyl, and R1, R2, R3, R4, R5, R6 and R7 are as defined in the description. The compounds or salts are thought to modulate P2X7 receptor function and to be capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of the compound or salt in the treatment or prophylaxis of, for example, inflammatory pain, neuropathic pain, visceral pain, rheumatoid arthritis, osteoarthritis or neurodegenerative disorders.

  本发明提供了一种式(I)化合物或其药学上可接受的盐，其中A为氢、C1-4烷基、C3-6环烷基、C1-3烷氧基、C1-3烷氧基C1-4烷基、C1-2氟烷基、卤素、NR6 R7、任选取代的杂芳基(Het)或任选取代的苯基，且R1、R2、R3、R4、R5、R6和R7如说明书中所定义。这些化合物或盐被认为能够调节P2X7受体功能，并能拮抗ATP在P2X7受体上的作用。本发明还提供了该化合物或盐在治疗或预防例如炎症性疼痛、神经性疼痛、内脏疼痛、类风湿性关节炎、骨关节炎或神经退行性疾病中的用途。
• Process for the preparation of furan compounds
  申请人：Ishii Yasutaka

  公开号：US20070197806A1

  公开（公告）日：2007-08-23

  A carbonyl compound represented by following Formula (1): wherein R 1 represents hydrogen atom or an organic group; and R 2 represents hydrogen atom or an organic group having a carbon atom at a bonding site with the carbonyl group in Formula (1), wherein R 1 and R 2 may be combined to form a ring with adjacent two carbon atoms, or an equivalent thereof is reacted with an unsaturated compound represented by following Formula (2): wherein each of R 3 , R 4 , and R 5 represents hydrogen atom, a halogen atom, hydroxyl group, or an organic group and wherein R 3 and R 4 may be combined to form a ring with adjacent two carbon atoms, or a precursor thereof, to yield a furan compound represented by following Formula (3): wherein R 3 ′ represents R 3 , R 5 or hydrogen atom; and R 1 , R 2 , R 3 , R 4 , are R 5 are as defined above.

  以以下公式（1）表示的一个羰基化合物： 其中R1代表氢原子或一个有机基团；R2代表氢原子或一个有机基团，在公式（1）中与羰基团在键合位点上有一个碳原子，其中R1和R2可以结合形成与相邻两个碳原子的环，或其等效物与以下公式（2）表示的不饱和化合物发生反应： 其中每个R3、R4和R5代表氢原子、卤素原子、羟基或一个有机基团，其中R3和R4可以结合形成与相邻两个碳原子的环，或其前体，以产生以下公式（3）表示的呋喃化合物： 其中R3'代表R3、R5或氢原子；而R1、R2、R3、R4和R5如上定义。
• 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-a]PYRAZINE DERIVATIVES AS P2X7 MODULATORS
  申请人：Dean David Kenneth

  公开号：US20120157436A1

  公开（公告）日：2012-06-21

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein A is hydrogen, C 1-4 alkyl, C 3-6 cycloalkyl, C 1-3 alkoxy, C 1-3 alkoxy C 1-4 alkyl, C 1-2 -fluoroalkyl, halogen, NR 6 R 7 , optionally substituted heteroaryl, or optionally substituted phenyl, and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined in the description. The compounds or salts are thought to modulate P2X7 receptor function and to be capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of the compound or salt in the treatment or prophylaxis of, for example, inflammatory pain, neuropathic pain, visceral pain, rheumatoid arthritis, osteoarthritis or neurodegenerative disorders.

  本发明提供了式（I）的化合物或其药学上可接受的盐： 其中，A为氢、C1-4烷基、C3-6环烷基、C1-3烷氧基、C1-3烷氧基C1-4烷基、C1-2氟代烷基、卤素、NR6R7、可选取代杂环芳基或可选取代苯基；R1、R2、R3、R4、R5、R6和R7如描述中所定义。 这些化合物或盐被认为可以调节P2X7受体功能，并能够拮抗P2X7受体上ATP的作用。本发明还提供了该化合物或盐在治疗或预防炎症性疼痛、神经病理性疼痛、内脏疼痛、类风湿性关节炎、骨关节炎或神经退行性疾病中的应用。
• AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20150005348A1

  公开（公告）日：2015-01-01

  An amide compound represented by formula (I) has an excellent pest control effect. (In the formula, Y represents a 3-7 membered saturated heterocyclic ring which contains, as ring-forming components(s), one or more atoms or groups that are selected from the group consisting of an oxygen atom and —S(O) t —, the saturated heterocyclic ring may have one to three atoms or groups selected from group D and t represents 0 or the like; x represents a C 1 -C 8 chain hydrocarbon group having one group that is selected from group A; W represents —CR 8 — or the like; r represents 1 or the like; R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 may be the same or different and each represents a hydrogen atom or the like; and n represents 1 or the like.)

  式(I)所代表的酰胺化合物具有出色的杀虫效果。（在该式中，Y代表一个含有3-7个饱和杂环环的结构，该结构中包含一个或多个从氧原子和-S(O)t-组成的原子或基团，饱和杂环环可能有一个到三个从D组成的原子或基团，t代表0或类似物；x代表一个C1-C8链烃基，其中有一个来自A组的基团；W代表-CR8-或类似物；r代表1或类似物；R1、R2、R3、R4、R5、R6、R7和R8可以相同也可以不同，每个代表一个氢原子或类似物；n代表1或类似物。）
• 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine derivatives as P2X7 modulators
  申请人：Dean David Kenneth

  公开号：US08501946B2

  公开（公告）日：2013-08-06

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein A is hydrogen, C1-4alkyl, C3-6cycloalkyl, C1-3alkoxy, C1-3alkoxy C1-4alkyl, C1-2fluoroalkyl, halogen, NR6R7, optionally substituted heteroaryl (Het), or optionally substituted phenyl, and R1, R2, R3, R4, R5, R6 and R7 are as defined in the description. The compounds or salts are thought to modulate P2X7 receptor function and to be capable of antagonizing the effects of ATP at the P2X7 receptor. The invention also provides the use of the compound or salt in the treatment or prophylaxis of, for example, inflammatory pain, neuropathic pain, visceral pain, rheumatoid arthritis, osteoarthritis or neurodegenerative disorders.

  本发明提供了一个式（I）的化合物或其药学上可接受的盐：其中A为氢、C1-4烷基、C3-6环烷基、C1-3烷氧基、C1-3烷氧基C1-4烷基、C1-2氟代烷基、卤素、NR6R7、可选取代的杂环芳基（Het）或可选取代的苯基，而R1、R2、R3、R4、R5、R6和R7如描述中所定义。这些化合物或盐被认为可以调节P2X7受体功能，并且能够拮抗P2X7受体上ATP的作用。本发明还提供了该化合物或盐在治疗或预防例如炎症性疼痛、神经病理性疼痛、内脏疼痛、类风湿性关节炎、骨关节炎或神经退行性疾病中的用途。