4--3-amino-2-cyanobuten-2-oic acid ethyl ester | 147049-13-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4--3-amino-2-cyanobuten-2-oic acid ethyl ester
• 英文别名: ethyl 3-amino-2-cyano-4-[N-(pyrid-2-yl)carbamoyl]crotonate；ethyl (Z)-3-amino-2-cyano-5-oxo-5-(pyridin-2-ylamino)pent-2-enoate
• CAS: 147049-13-6
• 化学式: C₁₃H₁₄N₄O₃
• 分子量: 274.279
• InChiKey: MQSWALXSZUVISB-KTKRTIGZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  水杨醛 、 4--3-amino-2-cyanobuten-2-oic acid ethyl ester 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以65%的产率得到ethyl 3-amino-2-cyano-3-(coumarin-3-yl)acrylate
  参考文献：
  名称：

  "Codimers" of N-(pyrid-2-yl) amides and ethyl cyanoacetate

  摘要：

  Potential chelating-forming ligands and reagents for heterocyclization - ethyl esters of 4-[N-(R-pyrid-2-yl)carbamoyl]-3-amino-2-cyanobuten-2-oic acids ["co-dimers" of cyanoacetic acid ethyl ester (EECA) and the corresponding (pyrid-2-yl) amides of this same acid) - were synthesized in two ways: by condensation of 2-dialkylborylamidopyridines (picolines) with EECA (via chelate compounds of boron) and by the reaction of EECA dimer with 2-aminopyridines (picolines).

  DOI：

  10.1007/bf00869516
• 作为产物：
  描述：

  2-氨基吡啶 、 diethyl (Z)-3-amino-2-cyanopent-2-ene-dioate 130.0~160.0 ℃ 、13.33 kPa 条件下， 反应 3.0h， 以65%的产率得到4--3-amino-2-cyanobuten-2-oic acid ethyl ester
  参考文献：
  名称：

  "Codimers" of N-(pyrid-2-yl) amides and ethyl cyanoacetate

  摘要：

  Potential chelating-forming ligands and reagents for heterocyclization - ethyl esters of 4-[N-(R-pyrid-2-yl)carbamoyl]-3-amino-2-cyanobuten-2-oic acids ["co-dimers" of cyanoacetic acid ethyl ester (EECA) and the corresponding (pyrid-2-yl) amides of this same acid) - were synthesized in two ways: by condensation of 2-dialkylborylamidopyridines (picolines) with EECA (via chelate compounds of boron) and by the reaction of EECA dimer with 2-aminopyridines (picolines).

  DOI：

  10.1007/bf00869516

文献信息

• DOROXOV V. A.; BARANIN S. V., IZV. AN CCCP. CEP. XIM.,(1987) N 4, 954-955
  作者：DOROXOV V. A.、 BARANIN S. V.

  DOI：——

  日期：——
• "Codimers" of N-(pyrid-2-yl) amides and ethyl cyanoacetate
  作者：V. A. Dorokhov、S. V. Baranin、A. Dib、V. S. Bogdanov

  DOI：10.1007/bf00869516

  日期：1992.2

  Potential chelating-forming ligands and reagents for heterocyclization - ethyl esters of 4-[N-(R-pyrid-2-yl)carbamoyl]-3-amino-2-cyanobuten-2-oic acids ["co-dimers" of cyanoacetic acid ethyl ester (EECA) and the corresponding (pyrid-2-yl) amides of this same acid) - were synthesized in two ways: by condensation of 2-dialkylborylamidopyridines (picolines) with EECA (via chelate compounds of boron) and by the reaction of EECA dimer with 2-aminopyridines (picolines).

表征谱图