3-氨基-3-吗啉丙烯腈 | 78972-77-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 3-氨基-3-吗啉丙烯腈
• 英文名称: 3-amino-3-(morpholino)propenenitrile
• 英文别名: 3-amino-3-morpholino-propenenitrile；(E)-3-amino-3-morpholin-4-ylprop-2-enenitrile
• CAS: 78972-77-7；141536-40-5
• 化学式: C₇H₁₁N₃O
• 分子量: 153.184
• InChiKey: NIJBZJPXHOOJAX-LREOWRDNSA-N

物化性质

• 沸点：
  388.1±42.0 °C(Predicted)
• 密度：
  1.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  62.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-氨基-3-吗啉丙烯腈 以 乙醇 、 二氯甲烷 为溶剂， 反应 25.0h， 生成 5-Cyano-6-morpholin-4-yl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Cocco, Maria Teresa; Congiu, Cenzo; Maccioni, Antonio, Journal of Heterocyclic Chemistry, 1989, vol. 26, p. 1859 - 1862

  摘要：

  DOI：
• 作为产物：
  描述：

  N'-[(E)-2-cyano-1-morpholin-4-yl-3-oxoprop-1-enyl]-N,N-dimethylmethanimidamide 生成 3-氨基-3-吗啉丙烯腈
  参考文献：
  名称：

  KLEMM K.; PRUESSE W.; BARON L.; DALTROZZO E., CHEM. BER., 1981, 114, NO 6 2001-2018

  摘要：

  DOI：

文献信息

• Cyanoacetanilides Intermediates in Heterocyclic Synthesis. Part 1: A Facile Synthesis of Polysubstituted and Condensed Pyridones
  作者：Y. A. Ammar、A. M. Sh. El-Sharief、Y. A. Mohamed、M. A. Salem、A. G. Al-Sehemi、M. S. A. El-Gaby

  DOI：10.1002/jccs.200400145

  日期：2004.10

  Polysubstituted pyridone derivatives were obtained through interaction of cyanoacetanilides with different reagents such as chalcones, 1,1,3-tricyano-2-aminopropene, and arylidenemalononitrile and acetyl-acetone.

  多取代吡啶酮衍生物是通过氰基乙酰苯胺与查耳酮、1,1,3-三氰基-2-氨基丙烯、亚芳基丙二腈和乙酰丙酮等不同试剂相互作用得到的。
• Synthesis of 2-Amino-5-pyrimidinecarbonitrile Derivatives
  作者：Maria Teresa Cocco、Cenzo Congiu、Valentina Onnis、Antonio Maccioni

  DOI：10.1055/s-1991-26508

  日期：——

  2-Amino-4-dialkylamino- or -4-ethoxy-6-methylthio-5-pyrimidinecarbonitriles 3 are obtained through a base-induced reaction between 3-amino-3-(dialkylamino)propenenitriles 1 and N-[bis (methylthio)methylene] cyanamide (2).

  通过 3-氨基-3-(二烷基氨基)丙烯腈 1 和 N-[双（甲硫基）亚甲基]氰酰胺（2）之间的碱诱导反应，可获得 2-氨基-4-二烷基氨基-或-4-乙氧基-6-甲硫基-5-嘧啶甲腈 3。
• PYRROLE DERIVATIVES AND MEDICINAL COMPOSITION
  申请人：NIPPON SHINYAKU COMPANY, LIMITED

  公开号：EP0842923A1

  公开（公告）日：1998-05-20

  The invention relates to a pharmaceutical composition comprising a pyrrole derivative of the following formula [1] or a pharmaceutically acceptable salt thereof, or a solvate of either of them, as an active ingredient. (wherein R1 represents hydrogen or alkoxycarbonylamino, R2 represents alkyl, aryl which may be substituted, aromatic heterocyclyl which may be substituted, unsubstituted amino, monoalkylamino, dialkylamino, or cyclic amino which may be substituted; R3 represents cyano or carbamoyl; R4 represents hydrogen or alkyl; E represents alkylene; q is equal to 0 or 1, A represents methyl, aryl which may be substituted, or aromatic heterocyclyl which may be substituted) The pharmaceutical composition of the invention is effective for the treatment of pollakiuria or urinary incontinence.

  本发明涉及一种药物组合物，其活性成分包括下式[1]的吡咯衍生物或其药学上可接受的盐，或二者之一的溶液。 (其中 R1 代表氢或烷氧羰基氨基，R2 代表烷基、可被取代的芳基、可被取代的芳香杂环基、未取代的氨基、单烷基氨基、二烷基氨基或可被取代的环氨基；R3 代表氰基或氨基甲酰基；R4 代表氢或烷基；E 代表亚烷基；q 等于 0 或 1，A 代表甲基、可被取代的芳基或可被取代的芳香杂环基)。 本发明的药物组合物对治疗花粉尿症或尿失禁有效。
• Synthesis and in vitro antitumoral activity of new 3,5-dicyanopyridine derivatives
  作者：Maria T. Cocco、Cenzo Congiu、Valentina Lilliu、Valentina Onnis

  DOI：10.1016/j.bmc.2006.11.031

  日期：2007.2

  A new series of 2-amino-4-aryl-6-dialkylamino-3,5-dicyanopyridines, 20-47, were synthesized in satisfactory overall yield, through a simple synthetic strategy using 3-amino-3-(dialkylamino)-propenenitriles 1 and 2 as key intermediates. 3,5-Dicyanopyridine derivatives 20-47 were evaluated for their in vitro anticancer activity toward cell lines of nine different types of human cancers. Some of the newly prepared compounds demonstrated inhibitory effects on the growth of a wide range of cancer cell lines generally at 10(-6) M level and in some cases at 10(-8) M concentration. (c) 2006 Elsevier Ltd. All rights reserved.
• COCCO, MARIA TERESA;CONGIU, CENZO;MACCIONI, ANTONIO, J. HETEROCYCL. CHEM., 27,(1990) N, C. 1143-1151
  作者：COCCO, MARIA TERESA、CONGIU, CENZO、MACCIONI, ANTONIO

  DOI：——

  日期：——