methyl 3-aminocrotonate | 64247-98-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 3-aminocrotonate
• 英文别名: methyl aminocrotonate；Methyl 3-iminobutanoate
• CAS: 64247-98-9
• 化学式: C₅H₉NO₂
• 分子量: 115.132
• InChiKey: SNEKCFHCPSDOKH-UHFFFAOYSA-N

物化性质

• 沸点：
  213.3±23.0 °C(Predicted)
• 密度：
  1.03±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 3-aminocrotonate 以13%的产率得到
  参考文献：
  名称：

  MURAOKA M.; YAMAMOTO T.; YAMAGUCHI S.; TONOSAKI F.; TAKESHIMA T.; FUKADA +, J. CHEM. SOC. PERKIN TRANS., PART 1 , 1977, NO 11, 1273-1280

  摘要：

  DOI：

文献信息

• Accessing bridged bicyclic compounds or meta carbon-functionalized anilines from the dearomatization of anilines
  作者：Linfei Wang、Shuo-En Wang、Weibin Wang、Renhua Fan

  DOI：10.1039/c3ra23224g

  日期：——

  The oxidative dearomatization of anilines was combined with a domino Michael addition, providing a series of nitrogen-containing bridged bicyclic compounds in moderate to excellent yields. The bridged bicyclic compound could be converted into the corresponding meta carbon-functionalized aniline derivative via a quinine-catalyzed tandem retro-oxa-Michael addition–aromatization reaction.

  将苯胺的氧化脱芳构化与多米诺Michael加成反应相结合，可以中等至优异的产率获得一系列含氮的桥联双环化合物。这些桥联双环化合物可通过喹啉催化的串联逆氧迈克尔加成-芳构化反应转化为相应的间位碳功能化苯胺衍生物。
• Synthesis and Calcium Modulatory Activity of 3-Alkyloxy- carbonyl-4-(disubstituted)aryl-5-oxo-1,4,5,6,7,8-hexa-hydroquinoline Derivatives
  作者：Rahime Simsek、Gökçe S. Öztürk、I. Mert Vural、Miyase G. Gündüz、Yusuf Sarıoǧlu、Cihat Safak

  DOI：10.1002/ardp.200700087

  日期：——

  In this study, twelve hexahydroquinoline derivatives which are condensed analogs of the 1,4‐DHP molecule were synthesized and evaluated for their calcium‐antagonistic activity. The results indicated that all compounds and nifedipine produced concentration‐dependent relaxation in rabbit gastric fundus smooth muscle strips. The relaxant effects of the compounds on the tissues were expressed as percentage

  在这项研究中，合成了 12 种六氢喹啉衍生物，它们是 1,4-DHP 分子的缩合类似物，并评估了它们的钙拮抗活性。结果表明，所有化合物和硝苯地平在兔胃底平滑肌条中产生浓度依赖性松弛。化合物对组织的松弛作用用 Ca2+ 表示为预收缩的百分比。计算最大响应（Emax）和pD2值（半最大响应浓度的负对数（EC50））。一般认为，将第二个吸电子取代基引入苯环会增加上述活性。甲基-2,7,7-三甲基-4-(2-硝基-5-氯苯基)-5-氧代-l, 4,5,6,7,
• Evaluation of myorelaxant activity of 7-substituted hexahydroquinoline derivatives in isolated rabbit gastric fundus
  作者：Miyase Gözde Gündüz、Gökçe Sevim Öztürk、İsmail Mert Vural、Rahime Şimşek、Yusuf Sarıoğlu、Cihat Şafak

  DOI：10.1016/j.ejmech.2007.04.012

  日期：2008.3

  by the Hantzsch reaction and screened for their myorelaxant and potassium channel opening activities. The maximum relaxant effects (E(max)) and pD(2) values on exogenous noradrenaline precontracted tissues and inhibitory effects on cholinergic neurotransmission of the compounds and pinacidil were determined on isolated strips of rabbit gastric fundus smooth muscle. Obtained results indicated that some

  在本文中，16种新的甲基（乙基）4-（二氯苯基）-2,7-二甲基-5-氧代-1,4,5,6,7,8-六氢喹啉-3-羧基和甲基（乙基）2通过Hantzsch反应合成了-methyl-4-（dichlorophenyl）-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbo xylate衍生物，并筛选了它们的肌肉松弛药和钾渠道开放活动。在离体兔胃底平滑肌条上测定了化合物对去甲去甲肾上腺素预收缩组织的最大舒张作用（E（max））和pD（2）值以及对化合物和吡那地尔对胆碱能神经传递的抑制作用。获得的结果表明，在两种测试条件下，某些化合物和吡那地尔在兔胃底平滑肌条上产生浓度依赖性的松弛。
• Synthesis and binding properties of 2<i>H</i>-1-benzopyran-2 one fluorophore-linked calcium channel antagonist nifedipine (1,4-dihydropyridine) analogs
  作者：Seetharamaiyer Padmanabhan、Ravikumar Peri、Aleta Rutledge、David J. Triggle

  DOI：10.1002/jhet.5570340146

  日期：1997.1

  Nifedipine analogs I, II and III with the 2H-1-benzopyran-2-one (coumarin) fluorophore linked at the 2, 2 and 6 and 4 positions of the dihydropyridine ring were synthesized by the modified Hantzch condensation procedures. Attempts to synthesize dihydropyridine with the fluorophore at position 3 (IV) were unsuccessful.

  通过改进的Hantchch缩合方法合成了具有在二氢吡啶环的2、2、6和4位连接的2 H -1-苯并吡喃-2-酮（香豆素）荧光团的硝苯地平类似物I，II和III 。尝试在位置3（IV）处带有荧光团的二氢吡啶合成失败。
• Synthesis and cardiovascular activity of difluro-substituted hexahydroquinoline
  作者：Vishal Gupta、Upama Misra

  DOI：10.1007/s00044-007-9078-8

  日期：2008.6

  7-trimethyl-5-oxo-4-(disubstituted phenyl)-1,4,5,6,7,8-hexahydro-quinoline-3-carbohydrates and 12 new N-N-diethyl 2,6,6 or 2,7,7-trimethyl-5-oxo-4-(disubstituted phenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide derivatives are synthesized and their activity on calcium channel antagonists was observed. Synthesis was done by the Hantzsch reaction. Calcium antagonistic activity was determined by tests

  22个新的甲基（乙基）2,6,6-或2,7,7-三甲基-5-氧代-4-（二取代苯基）-1,4,5,6,7,8-六氢喹啉- 3-碳水化合物和12种新的NN-二乙基2,6,6或2,7,7-三甲基-5-氧代-4-（二取代苯基）-1,4,5,6,7,8-六氢喹啉-3-合成了羧酰胺衍生物，并观察了它们对钙通道拮抗剂的活性。通过Hantzsch反应进行合成。钙拮抗活性通过在离体大鼠回肠和胸动脉上进行的试验确定。