2,6-Dimethyl-4-oxo-4H-pyran-3,5-dicarboxylic acid dimethyl ester | 268226-04-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 2,6-Dimethyl-4-oxo-4H-pyran-3,5-dicarboxylic acid dimethyl ester
• 英文别名: dimethyl 2,6-dimethyl-4H-pyran-4-one-3,5-dicarboxylate；3,5-di(methoxycarbonyl)-2,6-dimethyl-4H-pyran-4-one；kina-0033191；dimethyl 2,6-dimethyl-4-oxo-4H-pyran-3,5-dicarboxylate；dimethyl 2,6-dimethyl-4-oxopyran-3,5-dicarboxylate
• CAS: 268226-04-6
• 化学式: C₁₁H₁₂O₆
• mdl: MFCD04514166
• 分子量: 240.213
• InChiKey: MRBGYAHOMCAKSH-UHFFFAOYSA-N

物化性质

• 熔点：
  97 °C
• 沸点：
  381.2±42.0 °C(Predicted)
• 密度：
  1.279±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,6-Dimethyl-4-oxo-4H-pyran-3,5-dicarboxylic acid dimethyl ester 在 硫酸 、 水 、 溶剂黄146 作用下， 反应 5.0h， 以85%的产率得到2,6-二甲基-4-吡喃酮
  参考文献：
  名称：

  A NOVEL METHOD FOR THE SYNTHESIS OF 4H-PYRAN-4-ONE DERIVATIVES

  摘要：

  DOI：

  10.1080/00304940009356745
• 作为产物：
  描述：

  2,6-Bis(bromomethyl)-4H-pyran-3,5-dicarboxylic acid dimethyl ester 在 水 作用下， 生成 2,6-Dimethyl-4-oxo-4H-pyran-3,5-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Improved method for preparation of dibenzocrown-containing 4H-pyran- 4-one and synthesis of merocyanine dyestuffs from it

  摘要：

  A preparative method has been developed for obtaining 2,9,12,15,22-pentaoxa[2.7]orthocyclo-[2]-2,6-pyranophan-28-one. Compounds of the merocyanine dyestuff series have been obtained from it. It was shown that complex formation with metal salts had no effect on their spectral properties.

  DOI：

  10.1007/s10593-009-0332-5

文献信息

• Chemistry of Pyrones, Part 3: New Podands of 4H-Pyran-4-ones
  作者：Aziz Shahrisa、Alireza Banaei

  DOI：10.3390/50300200

  日期：——

  New derivatives of 3,5-disubstituted 4H-Pyran-4-one podands (9-15) were prepared by transesterification reaction of dimethyl or diethyl 2,6-dimethyl-4H-pyran-4-one-3,5-dicarboxylate with some glycol, glycol ethers or by nucleophilic substitution of some phenols or glycol ethers with 3,5-bis (bromomethyl)-2,6-diphenyl-4H-pyran-4-one.

  新型的3,5-二取代的4H-吡営-4-酮穴醚衍生物（9-15）通过二甲基或二乙基2,6-二甲基-4H-吡喃-4-酮-3,5-二羧酸酯与某些多元醇、多元醇醚的酯交换反应，或者通过某些酚或多元醇醚与3,5-双（溴甲基）-2,6-二苯基-4H-吡喃-4-酮的亲核取代反应制备得到。
• [EN] PYRIDONE COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS DE PYRIDONE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：EXELIXIS INC

  公开号：WO2022178205A1

  公开（公告）日：2022-08-25

  The present disclosure relates generally to compounds and pharmaceutical compositions suitable as modulators of protein kinases, and methods for their use in treating disorders mediated, at least in part by, protein kinases.

  本公开涉及与蛋白激酶调节剂相关的化合物和制药组合物，以及它们在治疗至少部分由蛋白激酶介导的疾病中的应用方法。
• A NOVEL METHOD FOR THE SYNTHESIS OF 4H-PYRAN-4-ONE DERIVATIVES
  作者：A. Shahrisa、R. Tabrizi、H. R. Ahsani

  DOI：10.1080/00304940009356745

  日期：2000.2
• Improved method for preparation of dibenzocrown-containing 4H-pyran- 4-one and synthesis of merocyanine dyestuffs from it
  作者：Ye. M. Poronik、M. P. Shandura、A. I. Tolmachev、Yu. P. Kovtun

  DOI：10.1007/s10593-009-0332-5

  日期：2009.6

  A preparative method has been developed for obtaining 2,9,12,15,22-pentaoxa[2.7]orthocyclo-[2]-2,6-pyranophan-28-one. Compounds of the merocyanine dyestuff series have been obtained from it. It was shown that complex formation with metal salts had no effect on their spectral properties.