2,4-dioxo-3,3-dimethyltetrahydropyridine | 28123-28-6

• 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: 2,4-dioxo-3,3-dimethyltetrahydropyridine
• 英文别名: 3,3-dimethyl-2,4(1H,3H)-pyridinedione；3,3-dimethylpyridine-2,4(1H,3H)-dione；3,3-dimethyl-1H-pyridine-2,4-dione；3,3-Dimethyl-1H-pyridin-2,4-dion；3,3-dimethyl-1H-pyridine-2,4-dione
• CAS: 28123-28-6
• 化学式: C₇H₉NO₂
• mdl: MFCD19217284
• 分子量: 139.154
• InChiKey: ZXRVQSXEHUUHMH-UHFFFAOYSA-N

物化性质

• 熔点：
  98-99 °C
• 沸点：
  310.7±35.0 °C(Predicted)
• 密度：
  1.094±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-dioxo-3,3-dimethyltetrahydropyridine 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 以91%的产率得到3,3-Dimethylpiperidine-2,4-dione
  参考文献：
  名称：

  10th international symposium on the synthesis and applications of isotopes and isotopically labelled compounds-applications of isotopes in pharmacology, clinical and medical research Session 16, Wednesday, June 17, 2009

  摘要：

  围绕一个中心主题，讨论了各种不同的话题。一方面，详细介绍了用 177Lu 标记的抗表皮生长因子 MAB 的制备。此外，还重点介绍了同位素标记小分子的传统合成方法。Copyright © 2010 John Wiley & Sons, Ltd. All Rights Reserved.

  DOI：

  10.1002/jlcr.1771
• 作为产物：
  描述：

  (Z)-2-bromo-N-(2-cyanovinyl)-2-methylpropanamide 、 乙基溴化镁 以 四氢呋喃 为溶剂， 以22%的产率得到2,4-dioxo-3,3-dimethyltetrahydropyridine
  参考文献：
  名称：

  10th international symposium on the synthesis and applications of isotopes and isotopically labelled compounds-applications of isotopes in pharmacology, clinical and medical research Session 16, Wednesday, June 17, 2009

  摘要：

  围绕一个中心主题，讨论了各种不同的话题。一方面，详细介绍了用 177Lu 标记的抗表皮生长因子 MAB 的制备。此外，还重点介绍了同位素标记小分子的传统合成方法。Copyright © 2010 John Wiley & Sons, Ltd. All Rights Reserved.

  DOI：

  10.1002/jlcr.1771

文献信息

• Substituted monocyclic CGRP receptor antagonists
  申请人：Wood Michael R.

  公开号：US20070265225A1

  公开（公告）日：2007-11-15

  Compounds of formula I: (wherein variables A 1 , A 2 , A 3 , A 4 , m, n, J, Q, R 4 , E a , E b , E c , R 6 , R 7 , R e , R f , R PG and Y are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  式I的化合物：(其中变量A1、A2、A3、A4、m、n、J、Q、R4、Ea、Eb、Ec、R6、R7、Re、Rf、RPG和Y如本文所述)是CGRP受体拮抗剂，可用于治疗或预防涉及CGRP的疾病，如偏头痛。该发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及CGRP的疾病中使用这些化合物和组合物。
• 2,4-Dioxo-3,3-dialkyl-6-alkyl(aryl und aralkyl)-piperidine
  作者：A. H. Lutz、O. Schinder

  DOI：10.1002/hlca.19560390111

  日期：——

  The action of metal-organic compounds upon 2,4-diketo-3, 3-dialkyl tetrahydropyridines leads to the formation of 3,3,6-tri-substituted 2,4-diketo piperidines, the new organic residue being introduced into the 6-position.

  金属有机化合物对2,4-二酮-3，3-二烷基四氢吡啶的作用导致形成3,3,6-三取代的2,4-二酮哌啶，新的有机残基被引入6 -位置。
• Photolysis of the 2-azabicyclo(4.1.0)heptane-3,5-dione system.
  作者：EISUKE SATO、YOSHIYA IKEDA、YUICHI KANAOKA

  DOI：10.1248/cpb.31.1362

  日期：——

  Irradiation of 2-alkyl-4, 4-dimethyl-2-azabicyclo [4. 1. 0] heptane-3, 5-dione (3), prepared by the reaction of 2, 4-dioxo-N-alkyl-3, 3-dimethyltetrahydropyridine (1) with sulfonium ylid, gave 1-alkyl-3, 3-dimethyl-1H-azepine-2, 4 (3H, 5H)-dione (4) with a ring expansion.

  由 2，4-二氧代-N-烷基-3，3-二甲基四氢吡啶 (1) 与亚磺酰基反应制备的 2-烷基-4，4-二甲基-2-氮杂双环 [4. 1. 0] 庚烷-3，5-二酮 (3)经过辐照后，得到了扩环的 1-烷基-3，3-二甲基-1H-氮杂卓-2，4 (3H，5H)-二酮 (4)。
• SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS
  申请人：Wood Michael R.

  公开号：US20100056498A1

  公开（公告）日：2010-03-04

  Compounds of formula I: (wherein variables A 1 , A 2 , A 3 , A 4 , m, n, J, Q, R 4 , E a , E b , E c , R 6 , R 7 , R e , R f , R PG and Y are as described herein) which are antagonists of CGRP receptors and which are useful in the treatment or prevention of diseases in which the CGRP is involved, such as migraine. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which CGRP is involved.

  式I的化合物：（其中变量A1，A2，A3，A4，m，n，J，Q，R4，Ea，Eb，Ec，R6，R7，Re，Rf，RPG和Y如本文所述）是CGRP受体拮抗剂，可用于治疗或预防CGRP参与的疾病，如偏头痛。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在预防或治疗CGRP参与的这些疾病中的应用。
• Sato, Eisuke; Todoriki, Reiko; Kanaoka, Yuichi, Liebigs Annalen der Chemie, 1988, p. 979 - 982
  作者：Sato, Eisuke、Todoriki, Reiko、Kanaoka, Yuichi、Flippen, Judith L.、Karle, Isabella L.、Witkop, Bernhard

  DOI：——

  日期：——