2,6-二氟烟酸甲酯 | 117671-02-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 羧酸酯及其衍生物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 2,6-二氟烟酸甲酯
• 英文名称: methyl 2,6-difluoropyridine-3-carboxylate
• 英文别名: methyl 2,6-difluoronicotinate；methyl 2,6-difluoro-3-pyridinecarboxylate
• CAS: 117671-02-0
• 化学式: C₇H₅F₂NO₂
• mdl: MFCD08704426
• 分子量: 173.119
• InChiKey: FTFGRVXYRDOUJN-UHFFFAOYSA-N

物化性质

• 沸点：
  228.8±40.0℃ (760 Torr)
• 密度：
  1.342±0.06 g/cm3 (20 ºC 760 Torr)
• 闪点：
  92.2±27.3℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P233,P260,P261,P264,P270,P271,P280,P301+P312,P302+P352,P304,P304+P340,P305+P351+P338,P312,P321,P330,P332+P313,P337+P313,P340,P362,P403,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8℃

反应信息

• 作为反应物：
  描述：

  2,6-二氟烟酸甲酯 在 sodium methylate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以3.2 g (17%)的产率得到2-氟-6-甲氧基-3-吡啶羧酸
  参考文献：
  名称：

  Herbicidal pyridinesulfonylureas

  摘要：

  这项发明涉及除草剂吡啶磺酰脲，其在草坪前除草和后除草方面具有高活性。

  公开号：

  US04808721A1
• 作为产物：
  描述：

  2,6-二氟吡啶 在 正丁基锂 、 硫酸 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.5h， 生成 2,6-二氟烟酸甲酯
  参考文献：
  名称：

  COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR

  摘要：

  描述了化合物及其盐、配方、共轭物、衍生物、形式和用途。在某些方面和实施例中，所述化合物或其盐、配方、共轭物、衍生物、形式对Fms、Kit、Flt3、TrkA、TrkB和TrkC激酶蛋白中的一个或多个具有活性。还描述了使用方法，用于治疗与Fms、Kit、Flt3、TrkA、TrkB和TrkC中的一个或多个活性相关的疾病和症状，包括类风湿性关节炎、骨关节炎、骨质疏松症、周围假体周围骨溶解、系统性硬化、脱髓鞘疾病、多发性硬化症、沙科特-玛丽-屈氏综合征、肌萎缩性侧索硬化、阿尔茨海默病、帕金森病、全球性缺血、溃疡性结肠炎、克罗恩病、免疫性血小板减少性紫癜、动脉粥样硬化、系统性红斑狼疮、自体移植的骨髓准备、移植排斥、肾小球肾炎、间质性肾炎、狼疮性肾炎、肾小管坏死、糖尿病性肾病、肾肥大、I型糖尿病、急性疼痛、炎症性疼痛、神经病性疼痛、急性髓样白血病、黑色素瘤、多发性骨髓瘤、乳腺癌、前列腺癌、胰腺癌、肺癌、卵巢癌、胶质瘤、胶质母细胞瘤、神经纤维瘤病、骨转移性溶骨病、脑转移瘤、胃肠道间质瘤和巨细胞瘤。

  公开号：

  US20110263595A1

文献信息

• 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  申请人：BAO JIANMING

  公开号：US20170183342A1

  公开（公告）日：2017-06-29

  The present invention is directed to 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-5-one compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及6,7-二氢-5H-吡咯[3,4-b]吡啶-5-酮化合物，这些化合物是M4毒蕈碱乙酰胆碱受体的变构调节剂。本发明还涉及在本申请中描述的化合物在潜在治疗或预防神经和精神障碍和疾病中的应用，其中涉及M4毒蕈碱乙酰胆碱受体。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及M4毒蕈碱乙酰胆碱受体的疾病的应用。
• [EN] HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTÉRIQUES D'ÉTHER DE PIPÉRIDINE D'HÉTÉROARYLE DU RÉCEPTEUR DE L'ACÉTYLCHOLINE MUSCARINIQUE M4
  申请人：MERCK SHARP & DOHME

  公开号：WO2018118734A1

  公开（公告）日：2018-06-28

  The present invention is directed to heteroarylpiperidine ether compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及异芳基哌啶醚化合物，其为M4肌氨酸乙酰胆碱受体的变构调节剂。本发明还涉及所述化合物在潜在的治疗或预防M4肌氨酸乙酰胆碱受体参与的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗M4肌氨酸乙酰胆碱受体参与的疾病中的用途。
• [EN] 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTÉRIQUES D'ÉTHER DE PIPÉRIDINE D'HÉTÉROARYLE 6,6-FUSIONNÉ DU RÉCEPTEUR MUSCARINIQUE M4 DE L'ACÉTYLCHOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2018118735A1

  公开（公告）日：2018-06-28

  The present invention is directed to 6,6-fused heteroarylpiperidine ether compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及6,6-融合杂环哌啶醚化合物，这些化合物是M4肌氨酸乙酰胆碱受体的变构调节剂。本发明还涉及所述化合物在潜在的治疗或预防M4肌氨酸乙酰胆碱受体参与的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗M4肌氨酸乙酰胆碱受体参与的疾病中的用途。
• [EN] 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR<br/>[FR] MODULATEURS ALLOSTÉRIQUES D'ÉTHER D'HÉTÉROARYLE PIPÉRIDINE 6,5-FUSIONNÉS DU RÉCEPTEUR MUSCARINIQUE DE L'ACÉTYLCHOLINE M4
  申请人：MERCK SHARP & DOHME

  公开号：WO2018118736A1

  公开（公告）日：2018-06-28

  The present invention is directed to 6,5-fused heteroarylpiperidine ether compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及6,5-融合杂环哌啶醚化合物，这些化合物是M4肌氨酸乙酰胆碱受体的变构调节剂。本发明还涉及所述化合物在潜在的治疗或预防神经系统和精神疾病中的用途，这些疾病和疾病中涉及M4肌氨酸乙酰胆碱受体。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗涉及M4肌氨酸乙酰胆碱受体的疾病中的用途。
• Facile preparation of 3-substituted-2,6-difluoropyridines: application to the synthesis of 2,3,6-trisubstituted pyridines
  作者：Taisuke Katoh、Yoshihide Tomata、Tetsuya Tsukamoto、Yoshihisa Nakada

  DOI：10.1016/j.tetlet.2015.09.057

  日期：2015.10

  We report a facile method for the difluorination of 3-substituted-2,6-dichloropyridines using cesium fluoride as a fluorination reagent in dimethyl sulfoxide. It is proposed that this method for preparing 3-substituted-2,6-difluoropyridines is simpler and easier than those reported in previous literature. To examine the utility of 3-substituted-2,6-difluoropyridines in synthetic chemistry, we also

  我们报告了一种简便的方法，使用氟化铯作为二甲基亚砜中的氟化试剂，对3-取代的2,6-二氯吡啶进行二氟化。提出这种制备3-取代的2，6-二氟吡啶的方法比以前文献中报道的方法更简单，更容易。为了检查3-取代的2,6-二氟吡啶在合成化学中的效用，我们还证明了随后通过串联亲核性芳族取代转化为2,3,6-三取代的吡啶。