2-(Bis(dimethylamino)methylene)-3-methoxybut-3-enenitrile | 68284-17-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(Bis(dimethylamino)methylene)-3-methoxybut-3-enenitrile
• 英文别名: 2-[bis(dimethylamino)methylidene]-3-methoxybut-3-enenitrile
• CAS: 68284-17-3
• 化学式: C₁₀H₁₇N₃O
• 分子量: 195.264
• InChiKey: ZATHTJHVNRRNFL-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：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  39.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(Bis(dimethylamino)methylene)-3-methoxybut-3-enenitrile 反应 1.0h， 生成 2-Dimethylamino-4-methoxy-1-methyl-6-oxo-1,6-dihydro-3-pyridincarbonitril
  参考文献：
  名称：

  Kantlehner, Willi; Ivanov, Ivo C.; Mergen, Walter W., Liebigs Annalen der Chemie, 1980, # 3, p. 372 - 388

  摘要：

  DOI：
• 作为产物：
  描述：

  2-Cyan-1,1-bis(dimethylamino)-3-methoxy-3-methylallylium-methylsulfat 在 sodium methylate 作用下， 以 乙腈 为溶剂， 反应 14.0h， 以76%的产率得到2-(Bis(dimethylamino)methylene)-3-methoxybut-3-enenitrile
  参考文献：
  名称：

  Kantlehner, Willi; Ivanov, Ivo C.; Mergen, Walter W., Liebigs Annalen der Chemie, 1980, # 3, p. 372 - 388

  摘要：

  DOI：

文献信息

• Orthoamide. LI. Push-Pull-Butadiene und Heterocyclen aus CH2-aciden Verbindungen und Orthoamiden von Alkincarbons�uren
  作者：Willi Kantlehner、Markus Vettel、Hansj�rg Lehmann、Kai Edelmann、R�diger Stieglitz、Ivo C. Ivanov

  DOI：10.1002/prac.19983400503

  日期：——

  The acetylides 4b, 4f react with N,N,N',N',N ",N "-hexamethylguanidiniumchloride (5) to give the orthoamides 6b, 6f, resp. From CH2-acidic compounds and the orthoamides 6a, c, e can be obtained the push-pull-substituted butadienes 8a-8aj. The 2,3,5-trimethyl-thiadiazolium salt 9 does not condense with 6e, as other CH2-acidic compounds do, instead the vinylogous guanidinium salt 10a is produced. On healing, the ketenaminals 8d, aa cyclize to give the pyridone-carbonitriles 11a, b, resp. From di-amino-coumarins 12 and the ortho-carboxylic acid amideacetals 13a, b and the ketenaminal 16 resp., the amidines 14a-c and the heterocyclic compounds 15a-c resp., are formed. The enamines 17a-c, 19a, b react with the orthoamides 6a-f to give the pyridine derivatives 18a-l, 20a-h and 21a, b, resp. Analogously, from 6-amino-uracil 22 and 6a, b, e, fare formed the pure 7-dimethylaminopyrido[2,3-d] pyrimidines 23a, b or mixtures of compounds 23c, d and the isomeric 4-dimethylamino-pyrido[2,3d]pyrimidines 24a, b resp., which can be separated via their salts 25a,b/26a,b. The heterocyclic compounds 30a-d, 32a,16 can be prepared from the pyrazole derivatives 28, 31 resp. and the orthoamides 6a-f.
• KANTLEHNER W.; IVANOV I. C.; MERGEN W. W.; BREDERECK H., LIEBIGS ANN. CHEM., 1980, NO 3, 372-388
  作者：KANTLEHNER W.、 IVANOV I. C.、 MERGEN W. W.、 BREDERECK H.

  DOI：——

  日期：——
• Kantlehner, Willi; Ivanov, Ivo C.; Mergen, Walter W., Liebigs Annalen der Chemie, 1980, # 3, p. 372 - 388
  作者：Kantlehner, Willi、Ivanov, Ivo C.、Mergen, Walter W.、Bredereck, Hellmut

  DOI：——

  日期：——