4,6-Dimethyl-2-pyrimidinylacetic acid ethyl ester | 22114-32-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4,6-Dimethyl-2-pyrimidinylacetic acid ethyl ester
• 英文别名: 2-(ethoxycarbonyl)methyl-4,6-dimethylpyrimidine；2-(ethoxycarbonylmethyl)-4,6-dimethylpyrimidine；2-ethoxycarbonylmethyl-4,6-dimethylpyrimidine；ethyl (4,6-dimethylpyrimidin-2-yl)acetate；ethyl 4,6-dimethyl-2-pyrimidinylacetate；ethyl 4,6-dimethyl-2-pyrimidineacetate；Ethyl 2-(4,6-dimethylpyrimidin-2-yl)acetate
• CAS: 22114-32-5
• 化学式: C₁₀H₁₄N₂O₂
• mdl: MFCD00546425
• 分子量: 194.233
• InChiKey: IVGQXKJMRMPVDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,6-Dimethyl-2-pyrimidinylacetic acid ethyl ester 在 氨 作用下， 反应 10.0h， 生成 2-(1-ethyl-4,6-dimethylpyrimidin-1-ium-2-yl)acetamide;iodide
  参考文献：
  名称：

  The Kost-Sagitullin Rearrangement in a Series of 1-Alkyl-2-(carbamoylmethyl)-4,6-dimethylpyrimidinium Iodides

  摘要：

  DOI：

  10.1023/b:cohc.0000028628.69948.b6
• 作为产物：
  描述：

  dimethyloxosulfonium ethoxycarbonyl (4,6-dimethyl-2-pyrimidinyl)methylide 在 deactivated Raney nickel 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以71%的产率得到4,6-Dimethyl-2-pyrimidinylacetic acid ethyl ester
  参考文献：
  名称：

  Yamanaka, Hiroshi; Konno, Shoetsu; Sakamoto, Takao, Chemical and pharmaceutical bulletin, 1981, vol. 29, # 10, p. 2837 - 2843

  摘要：

  DOI：

文献信息

• Yamanaka, Hiroshi; An-naka, Masayuki; Kondo, Yoshinori, Chemical and pharmaceutical bulletin, 1985, vol. 33, # 10, p. 4309 - 4313
  作者：Yamanaka, Hiroshi、An-naka, Masayuki、Kondo, Yoshinori、Sakamoto, Takao

  DOI：——

  日期：——
• Synthesis of N- and C-azolyl-substituted pyrazolo[1,5-a]pyrimidines by recyclization of pyrimidinium salts
  作者：Gevorg G. Danagulyan、Araksya K. Tumanyan、Oganes S. Attaryan、Rafael A. Tamazyan、Anna G. Danagulyan、Armen G. Ayvazyan

  DOI：10.1007/s10593-015-1724-3

  日期：2015.5

  We studied the reaction of 2-(ethoxycarbonyl)methyl-1,4,6-trimethylpyrimidinium iodide with hydrazides of N-azolyl- and D-pyrazolylsubstituted carboxylic acids, which were synthesized by reacting the respective esters with hydrazine hydrate. This reaction was shown to result in recyclization and formation of ethyl 2-(pyrazolylalkyl)- and 2-(azolylalkyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylates. Besides pyrazolopyrimidines, the separation of reaction mixture provided in some cases also another recyclization product, 2-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
• Sakamoto, Takao; Tanji, Ken-Ichi; Niitsuma, Setsuko, Chemical and pharmaceutical bulletin, 1980, vol. 28, # 11, p. 3362 - 3368
  作者：Sakamoto, Takao、Tanji, Ken-Ichi、Niitsuma, Setsuko、Ono, Takayasu、Yamanaka, Hiroshi

  DOI：——

  日期：——
• Novel route for the transformation of a pyrimidine ring using hydrazides
  作者：G. G. Danagulyan、D. A. Tadevosyan、R. A. Tamazyan、G. A. Panosyan

  DOI：10.1007/s10593-006-0077-3

  日期：2006.2
• Formation of bispyridyl derivatives during the Kost-Sagitullin rearrangement
  作者：G. G. Danagulyan、D. A. Tadevosyan

  DOI：10.1007/s10593-006-0035-0

  日期：2005.12