4-methoxy-2-chloronicotinic acid ethyl ester | 864229-51-6

• 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
• 英文名称: 4-methoxy-2-chloronicotinic acid ethyl ester
• 英文别名: ethyl 2-chloro-4-methoxynicotinate；Ethyl 2-chloro-4-methoxynicotinate；ethyl 2-chloro-4-methoxypyridine-3-carboxylate
• CAS: 864229-51-6
• 化学式: C₉H₁₀ClNO₃
• 分子量: 215.636
• InChiKey: AMDXCYXUZOOHCH-UHFFFAOYSA-N

物化性质

• 沸点：
  304.3±37.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  4-methoxy-2-chloronicotinic acid ethyl ester 在 sodium hydroxide 作用下， 反应 0.5h， 以1.49 g的产率得到2-氯-4-甲氧基烟酸
  参考文献：
  名称：

  Concise Total Syntheses of Variolin B and Deoxyvariolin B

  摘要：

  The total synthesis of the marine alkaloid variolin B has been achieved in 8 steps and 17% overall yield, starting from commercially available 4-chloro-2-methylthiopyrimidine. The key reaction involves the tandem deoxygenation and cyclization of a triarylmethanol using a combination of triethylsilane and trifluoroacetic acid. In addition, the deoxygenated analogue was prepared in 6 steps and 23% overall yield, starting from the same starting material.

  DOI：

  10.1021/jo050523v
• 作为产物：
  描述：

  2,4-二氯烟酸 在 盐酸 、 potassium trimethylsilonate 作用下， 以 四氢呋喃 为溶剂， 生成 4-methoxy-2-chloronicotinic acid ethyl ester
  参考文献：
  名称：

  [EN] 2-PYRIDYLOXY-3-ESTER-4-ETHER OREXIN RECEPTOR ANTAGONISTS
  [FR] COMPOSÉS 2-PYRIDYLOXY-3-ESTER-4-ÉTHER ANTAGONISTES DES RÉCEPTEURS DE L'OREXINE

  摘要：

  本发明涉及对促醒素受体的拮抗剂2-吡啶氧基-3-酯基-4-醚化合物。本发明还涉及在潜在的治疗或预防神经和精神疾病中使用本文所述的2-吡啶氧基-4-醚化合物。本发明还涉及包含这些化合物的药物组合物。本发明还涉及在预防或治疗促醒素受体参与的这类疾病中使用这些药物组合物。

  公开号：

  WO2015088864A1

文献信息

• [EN] PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS<br/>[FR] COMPOSÉS PYRROLIDINE EN TANT QU'ANTAGONISTES DU RÉCEPTEUR DE L'HYPOCRÉTINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2016095204A1

  公开（公告）日：2016-06-23

  The present invention is directed to pyrrolidine compounds which are antagonists of orexin receptors. 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 orexin 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 orexin receptors are involved.

  本发明涉及对促进素受体的拮抗剂吡咯烷化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及促进素受体的神经和精神疾病和疾病中的用途。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涉及促进素受体的疾病中的用途。
• HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS
  申请人：Hilpert Kurt

  公开号：US20140163035A1

  公开（公告）日：2014-06-12

  The invention relates to heterocyclic amide derivatives of formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, Y and n are as defined in the description, their preparation and their use as pharmaceutically active compounds.

  本发明涉及公式（I）的杂环酰胺衍生物，其中R1、R2、R3、R4、R5、X、Y和n如描述中所定义，其制备及其作为药用活性化合物的用途。
• [EN] HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'AMIDES HÉTÉROCYCLIQUES UTILISÉS COMME ANTAGONISTES DU RÉCEPTEUR P2X7
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013014587A1

  公开（公告）日：2013-01-31

  The invention relates to heterocyclic amide derivatives of formula (I), wherein R1, R2, R3, R4, R5, X, Y and n are as defined in the description, their preparation and their use as pharmaceutically active compounds.

  该发明涉及公式（I）的杂环酰胺衍生物，其中R1、R2、R3、R4、R5、X、Y和n如描述中所定义，它们的制备以及它们作为药用活性化合物的用途。
• [EN] HERBICIDAL COMPOUNDS<br/>[FR] COMPOSÉS HERBICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2016174074A1

  公开（公告）日：2016-11-03

  The present invention relates to herbicidal heteroarylmethoxy/heterocyclylmethoxy substituted phenyl diones and heteroarylmethoxy/heterocyclylmethoxysubstituted phenyl-dioxo- thiazinone derivatives of formula (I), as well as to processes and intermediates used for the preparation of such derivatives. The invention further extends to herbicidal compositions comprising such derivatives, as well as to the use of such compounds and compositions in controlling undesirable plant growth: in particular the use in controlling weeds, such as broad- leaved dicotyledonous weeds, in crops of useful plants.

  本发明涉及草甘膦杂环烷氧基/杂环烷基氧基取代苯二酮和杂环烷氧基/杂环烷基氧基取代苯二酮-噻唑酮衍生物的化学式(I)，以及用于制备这些衍生物的过程和中间体。该发明进一步涉及包含这些衍生物的除草剂组合物，以及在控制不良植物生长方面使用这些化合物和组合物，特别是在控制杂草（如宽叶双子叶杂草）在有用植物作物中的使用。
• [EN] HERBICIDAL 3-(2-BENZYLOXYPHENYL)-2,4-DIHYDROXY-1,8-NAPHTHYRIDINE DERIVATIVES<br/>[FR] DÉRIVÉS HERBICIDES DE 3-(2-BENZYLOXYPHÉNYL)-2,4-DIHYDROXY-1,8-NAPHTYRIDINE
  申请人：SYNGENTA LTD

  公开号：WO2015062984A1

  公开（公告）日：2015-05-07

  The present invention relates to herbicidal benzyloxy-substituted phenyl-diones and phenyl-dioxo-thiazinones of formula (I), as well as to herbicidal compositions comprising such compounds, and to the use of such compounds or compositions in controlling undesirable plant growth, in particular in controlling weeds, such as broad-leaved dicotyledonous weeds, in crops of useful plants. Formula (I), or a salt or N-oxide thereof, wherein A1 is N or CR1; A3 is C(O) or S(O)2; G is hydrogen or C(O)R6; R1, R3, X and Y are i.a. hydrogen, alkyl or haloalkyl; n is 0-5; each Z is i.a. alkyl, haloalkyl or alkoxy; and R6 is i.a. alkyl, alkenyl or alkynyl.

  本发明涉及草甘膦基苯氧基取代的苯二酮和苯二氧代噻嗪酮化合物的公式(I)，以及包含这些化合物的除草剂组合物，以及使用这些化合物或组合物控制不良植物生长，特别是在作物中控制杂草，如宽叶双子叶杂草。公式(I)，或其盐或N-氧化物，其中A1为N或CR1；A3为C(O)或S(O)2；G为氢或C(O)R6；R1、R3、X和Y为氢、烷基或卤代烷基；n为0-5；每个Z为烷基、卤代烷基或烷氧基；R6为烷基、烯基或炔基。