5-乙基呋喃-2-羧酸 | 56311-37-6

• 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-乙基呋喃-2-羧酸
• 英文名称: 5-ethyl-2-furancarboxylic acid
• 英文别名: 5-ethyl-furan-2-carboxylic acid；5-Aethyl-furan-2-carbonsaeure；5-Aethyl-furancarbonsaeure-(2)；5-Ethyl-2-furancarbonsaeure；5-Ethylfuran-2-carbonsaeure；5-Ethylfuran-2-carboxylic acid
• CAS: 56311-37-6
• 化学式: C₇H₈O₃
• mdl: MFCD04378818
• 分子量: 140.139
• InChiKey: YIFZPUOIORLHGC-UHFFFAOYSA-N

物化性质

• 熔点：
  92-93℃
• 沸点：
  254℃
• 密度：
  1.191
• 闪点：
  108℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2932190090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  5-乙基呋喃-2-羧酸 在 正丁基锂 、 potassium carbonate 作用下， 以 四氢呋喃 、 正己烷 、 乙腈 为溶剂， 反应 9.5h， 生成 N-(2-bromophenyl)-N,5-diethylfuran-2-carboxamide
  参考文献：
  名称：

  Regioselective and Stereoselective Pd-Catalyzed Intramolecular Arylation of Furans: Access to Spirooxindoles and 5H-Furo[2,3-c]quinolin-4-ones

  摘要：

  Herein, we report regio- and stereoselective intramolecular direct arylations of N-(2-bromophenyl)-2-furancarboxamides 1 to produce spirooxindoles 2 and 5H-furo[2,3-c]quinolin-4-ones 3 under different reaction conditions. Specifically, in the presence of Pd(PPh3)(4) as a catalyst, PPh3 as a ligand, and K2CO3 as a base, substrates 1 underwent intramolecular alpha-arylation, possibly via a Heck insertion pathway, to provide 2, with the Zeta-isomer being favored. When the base was t-BuOLi and R-1 was an aryl group, the reaction favored Epsilon-2, possibly via an electrophilic palladation pathway. In contrast, in the presence of PdCl2 as a catalyst, (o-OMePh)(3)P as a ligand, and PivOH as an additive, substrates 1 underwent intramolecular beta-arylation to provide 3, possibly via a concerted metalation-deprotonation process.

  DOI：

  10.1021/acs.joc.6b01774
• 作为产物：
  描述：

  5-(1-氯乙基)-2-糠酸乙酯 在 sodium hydroxide 、 溶剂黄146 、 锌 作用下， 生成 5-乙基呋喃-2-羧酸
  参考文献：
  名称：

  Mndshojan; Arojan, Doklady Akademii Nauk Armyanskoi SSR, 1957, vol. 25, p. 267,272

  摘要：

  DOI：

文献信息

• [EN] CARBONYL DERIVATIVES OF BETULIN<br/>[FR] DÉRIVÉS CARBONYLES DE BÉTULINE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2013020245A1

  公开（公告）日：2013-02-14

  Disclosed are a compound characterized by the following formula I or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising said compound or a pharmaceutically acceptable salt thereof, wherein R3, L, and A are as described in the application. Said compounds are useful for the treatment of HIV.

  揭示了一种由以下化学式I或其药学上可接受的盐所表征的化合物，以及包含所述化合物或其药学上可接受的盐的药物组合物，其中R3、L和A如申请中所述。所述化合物对治疗HIV有用。
• Gonadotropin Releasing Hormone Receptor Antagonist, Preparation Method Thereof And Pharmaceutical Composition Comprising The Same
  申请人：Kim Seon Mi

  公开号：US20130137661A1

  公开（公告）日：2013-05-30

  Disclosed are compounds useful as gonadotrophin-releasing hormone (“GnRH”) receptor antagonist.

  披露了作为促性腺激素释放激素（“GnRH”）受体拮抗剂有用的化合物。
• NOVEL COMPOUNDS
  申请人：HEIMANN Annekatrin

  公开号：US20130158042A1

  公开（公告）日：2013-06-20

  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. R 1 , R 2 , R 3 , R 4 , Q have meanings given in the description.

  这项发明涉及公式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障碍，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。R1，R2，R3，R4，Q在描述中给出了含义。
• PPAR Modulators
  申请人：Kristiansen Karsten

  公开号：US20110178112A1

  公开（公告）日：2011-07-21

  1,3-dioxane derivatives are described and their use in the treatment of a disease or condition dependent on PPAR modulation, such as diabetes, cancer, inflammation, neurodegenerative disorders and infections.

  1,3-二噁烷衍生物被描述，并且它们在治疗依赖于PPAR调节的疾病或病况中的应用被提及，比如糖尿病、癌症、炎症、神经退行性疾病和感染。
• Phosphorylamides, their preparation and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US05840917A1

  公开（公告）日：1998-11-24

  A phosphorylamide derivative represented by the general formula (I): ##STR1## wherein R represents an amino group that may be substituted, or a salt thereof, possesses potent antibacterial activity against Helicobacter bacterium, especially Helicobacter pylori, and is useful for prevention or treatment of digestive diseases caused by Helicobacter bacterium, solely or in combination with an antacid or an acid secretion inhibitor.

  一种由通式（I）表示的磷酰胺衍生物：##STR1## 其中R代表可能被取代的氨基团或其盐，对幽门螺杆菌，特别是幽门螺杆菌，具有强效的抗菌活性，并可用于单独或与抗酸剂或酸分泌抑制剂联合预防或治疗由幽门螺杆菌引起的消化系统疾病。