6-甲氧基-2-甲基-(9CI)-3-吡啶羧醛 | 156094-77-8

• 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: 6-甲氧基-2-甲基-(9CI)-3-吡啶羧醛
• 中文别名: 6-甲氧基-2-甲基烟醛；6-甲氧基-2-甲基 烟醛
• 英文名称: 6-methoxy-2-methylpyridine-3-carboxaldehyde
• 英文别名: 5-formyl-2-methoxy-6-methylpyridine；6-methoxy-2-methyl-3-pyridinecarboxaldehyde；6-Methoxy-2-methylnicotinaldehyde；6-methoxy-2-methylpyridine-3-carbaldehyde
• CAS: 156094-77-8
• 化学式: C₈H₉NO₂
• mdl: MFCD11044370
• 分子量: 151.165
• InChiKey: HYKSLKBORRBHEN-UHFFFAOYSA-N

物化性质

• 沸点：
  254.9±35.0 °C(Predicted)
• 密度：
  1.123±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  6-甲氧基-2-甲基-(9CI)-3-吡啶羧醛 在 sodium hydroxide 、 sodium tetrahydroborate 作用下， 以 甲醇 、 水 为溶剂， 以97.6%的产率得到(6-甲氧基-2-甲基吡啶-3-基)甲醇
  参考文献：
  名称：

  [EN] PROCESSES FOR THE PREPARATION OF PYRAZOLO[1,5-a]-1,3,5-TRIAZINES AND INTERMEDIATES THEREOF
  [FR] PROCEDES DE PREPARATION DE PYRAZOLO[1,5-a]-1,3,5-TRIAZINES ET LEURS INTERMEDIAIRES

  摘要：

  公开号：

  WO2005051954A3
• 作为产物：
  描述：

  2-甲氧基-6-甲基吡啶 在 disodium hydrogenphosphate 、 正丁基锂 、 溴 作用下， 反应 3.0h， 生成 6-甲氧基-2-甲基-(9CI)-3-吡啶羧醛
  参考文献：
  名称：

  Functionalisation of 2-Methoxy-6-methylpyridine

  摘要：

  Selective bromination of 2-methoxy-6-methylpyridine 2 afforded 5-bromo-2-methoxy-6-methylpyridine 8. Deprotonation of this pyridine derivative in benzylic position or lithium-bromine exchange allowed the regio-selective introduction of various electrophiles.

  DOI：

  10.1080/00397919408011740

文献信息

• INHIBITOR OF CASEIN KINASE 1DELTA AND CASEIN KINASE 1EPSILON
  申请人：Okamoto Masako

  公开号：US20110294857A1

  公开（公告）日：2011-12-01

  There is provided an inhibitor that inhibits casein kinase 1δ and casein kinase 1ε, and thus, there is also provided a pharmaceutical agent useful for the treatment and/or prevention of a disease, with the pathological condition of which the mechanism of activation of casein kinase 1δ or casein kinase 1ε is associated. Particularly, the above-described inhibitor is used to provide a pharmaceutical agent useful for the treatment of circadian rhythm disorder (including sleep disorder), central neurodegenerative disease, and cancer. An inhibitor of casein kinase 1δ and casein kinase 1ε, which comprises, as an active ingredient, an oxazolone derivative represented by the following general formula (1), a salt thereof, a solvate thereof, or a hydrate thereof: [wherein, in the formula (1), each of R 1 and R 2 independently represents any one of a substituted or unsubstituted 6-membered or 5-membered heterocyclic group optionally having a condensed ring, a substituted or unsubstituted aromatic hydrocarbon group optionally having a condensed ring, and a substituted or unsubstituted aromatic hydrocarbon lower alkyl group or aromatic hydrocarbon lower alkenyl group optionally having a condensed ring.]

  提供了一种抑制剂，可抑制酪蛋白激酶1δ和酪蛋白激酶1ε，因此还提供了一种用于治疗和/或预防疾病的药物，该疾病的病理条件与酪蛋白激酶1δ或酪蛋白激酶1ε的激活机制相关。特别地，上述描述的抑制剂用于提供一种用于治疗昼夜节律紊乱（包括睡眠障碍）、中枢神经退行性疾病和癌症的药物。一种酪蛋白激酶1δ和酪蛋白激酶1ε的抑制剂，包括以下一般式（1）所表示的噁唑酮衍生物作为活性成分，其盐、溶剂化合物或水合物：[在式（1）中，R1和R2中的每一个独立地表示取代或未取代的6元或5元杂环基，可选择具有缩合环的取代或未取代的芳香烃基，以及取代或未取代的芳香烃基低烷基基团或芳香烃基低烯基基团，可选择具有缩合环。]
• Mechanism of a No-Metal-Added Heterocycloisomerization of Alkynylcyclopropylhydrazones: Synthesis of Cycloheptane-Fused Aminopyrroles Facilitated by Copper Salts at Trace Loadings
  作者：Sidney M. Wilkerson-Hill、Diana Yu、Phillip P. Painter、Ethan L. Fisher、Dean J. Tantillo、Richmond Sarpong、Jason E. Hein

  DOI：10.1021/jacs.7b06007

  日期：2017.8.2

  heterocycloisomerization reaction that forms annulated aminopyrroles is presented. Density functional theory calculations and kinetic studies suggest the reaction is catalyzed by trace copper salts and that a Z- to E-hydrazone isomerization occurs through an enehydrazine intermediate before the rate-determining cyclization of the hydrazone onto the alkyne group. The aminopyrrole products are obtained in 36-93% isolated

  介绍了形成环氨基吡咯的新杂环异构化反应的机理研究。密度泛函理论计算和动力学研究表明，该反应是由痕量铜盐催化的，并且在腙到炔基上的限速环化之前，通过烯肼中间体发生 Z 到 E 腙异构化。取决于炔基取代基的性质，以36-93%的分离产率获得氨基吡咯产物。开发了一种新的自动采样技术以获得可靠的机械数据。
• Process for the preparation of pyrazolo[1,5-a]-1,3,5-triazines and intermediates thereof
  申请人：Sherbine P. James

  公开号：US20070161790A1

  公开（公告）日：2007-07-12

  The present invention provides novel processes and intermediates for preparing corticotropin releasing factor (CRF) receptor antagonists having the structure below which are useful in treating CRF-related disorders such as anxiety and depression.

  本发明提供了一种制备皮质释放激素受体拮抗剂的新工艺和中间体，该拮抗剂具有以下结构，可用于治疗与皮质释放激素相关的疾病，如焦虑和抑郁症。
• Inhibitor of casein kinase 1δ and casein kinase 1ε
  申请人：Okamoto Masako

  公开号：US09018238B2

  公开（公告）日：2015-04-28

  There is provided an inhibitor that inhibits casein kinase 1δ and casein kinase 1ε, and thus, there is also provided a pharmaceutical agent useful for the treatment and/or prevention of a disease, with the pathological condition of which the mechanism of activation of casein kinase 1δ or casein kinase 1ε is associated. Particularly, the above-described inhibitor is used to provide a pharmaceutical agent useful for the treatment of circadian rhythm disorder (including sleep disorder), central neurodegenerative disease, and cancer. An inhibitor of casein kinase 1δ and casein kinase 1ε, which comprises, as an active ingredient, an oxazolone derivative represented by the following general formula (1), a salt thereof, a solvate thereof, or a hydrate thereof: [wherein, in the formula (1), each of R1 and R2 independently represents any one of a substituted or unsubstituted 6-membered or 5-membered heterocyclic group optionally having a condensed ring, a substituted or unsubstituted aromatic hydrocarbon group optionally having a condensed ring, and a substituted or unsubstituted aromatic hydrocarbon lower alkyl group or aromatic hydrocarbon lower alkenyl group optionally having a condensed ring.]

  本发明提供了一种抑制酪氨酸激酶1δ和酪氨酸激酶1ε的抑制剂，因此还提供了一种用于治疗和/或预防与酪氨酸激酶1δ或酪氨酸激酶1ε的激活机制相关的疾病的药物剂。特别地，上述抑制剂用于提供一种用于治疗昼夜节律紊乱（包括睡眠障碍）、中枢神经退行性疾病和癌症的药物剂。 一种酪氨酸激酶1δ和酪氨酸激酶1ε的抑制剂，包括以下通式（1）所表示的噁唑酮衍生物作为活性成分，其盐、溶剂合物或水合物。[在式（1）中，R1和R2各自独立地表示取代或未取代的6元或5元杂环基，可选地具有缩环，取代或未取代的芳香族碳氢基，或取代或未取代的芳香族碳氢低烷基或芳香族碳氢低烯基，可选地具有缩环。]
• INHIBITOR OF CASEIN KINASE 1DELTA AND CASEIN KINASE 1EPSILON
  申请人：Pharmadesign, Inc.

  公开号：EP2397481A1

  公开（公告）日：2011-12-21

  There is provided an inhibitor that inhibits casein kinase 1δ and casein kinase 1ε, and thus, there is also provided a pharmaceutical agent useful for the treatment and/or prevention of a disease, with the pathological condition of which the mechanism of activation of casein kinase 1δ or casein kinase 1ε is associated. Particularly, the above-described inhibitor is used to provide a pharmaceutical agent useful for the treatment of circadian rhythm disorder (including sleep disorder), central neurodegenerative disease, and cancer. An inhibitor of casein kinase 1δ and casein kinase 1ε, which comprises, as an active ingredient, an oxazolone derivative represented by the following general formula (1), a salt thereof, a solvate thereof, or a hydrate thereof: [wherein, in the formula (1), each of R1 and R2 independently represents any one of a substituted or unsubstituted 6-membered or 5-membered heterocyclic group optionally having a condensed ring, a substituted or unsubstituted aromatic hydrocarbon group optionally having a condensed ring, and a substituted or unsubstituted aromatic hydrocarbon lower alkyl group or aromatic hydrocarbon lower alkenyl group optionally having a condensed ring.]

  本发明提供了一种抑制酪蛋白激酶1δ和酪蛋白激酶1ε的抑制剂，因此还提供了一种用于治疗和/或预防疾病的药剂，该疾病的病理条件与酪蛋白激酶1δ或酪蛋白激酶1ε的激活机制有关。特别是，上述抑制剂可用于提供治疗昼夜节律紊乱（包括睡眠障碍）、中枢神经退行性疾病和癌症的药物制剂。 一种酪蛋白激酶1δ和酪蛋白激酶1ε的抑制剂，其活性成分包括由下通式(1)代表的噁唑酮衍生物、其盐、其溶液或其水合物： [其中，在式 (1) 中，R1 和 R2 各自独立地代表任选具有缩合环的取代或未取代的 6 元或 5 元杂环基团、任选具有缩合环的取代或未取代的芳香烃基团和任选具有缩合环的取代或未取代的芳香烃低级烷基或芳香烃低级烯基中的任一种。］