ethyl (E)-3-cyano-2-methylprop-2-enoate | 124779-00-6

• 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: ethyl (E)-3-cyano-2-methylprop-2-enoate
• 英文别名: Ethyl-E-2-cyanocrotonat；ethyl 3-cyano-2-methylacrylate；(E)-Ethyl 3-cyano-2-methylacrylate
• CAS: 124779-00-6
• 化学式: C₇H₉NO₂
• 分子量: 139.154
• InChiKey: YXZOQLJDKUWLSU-GQCTYLIASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  50.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl (E)-3-cyano-2-methylprop-2-enoate 在 N-溴代丁二酰亚胺(NBS) 、 过氧化氢苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 80.0h， 以70%的产率得到ethyl 2-bromomethyl-3-cyanoprop-2-enoate
  参考文献：
  名称：

  一种有效的2-[（烷基氨基）（氰基）甲基]丙烯酸乙酯的新途径：3-氰基-2-（羟甲基）丙烯酸乙酯的首次合成

  摘要：

  描述了2-（溴甲基）-3-氰基丙烯酸乙酯和伯胺的区域选择性偶联，以良好的产率得到2-[（（烷基氨基）（氰基）甲基]丙烯酸乙酯。而在TEAF存在下烯丙基溴的转化导致3-氰基-2-（羟甲基）丙烯酸乙酯的首次合成。

  DOI：

  10.1016/j.tet.2009.04.028
• 作为产物：
  描述：

  丙酮酸乙酯 以72%的产率得到
  参考文献：
  名称：

  MCFADDEN, HELEN G.;HARRIS, ROGER L. N.;JENKINS, COLIN L. D., AUSTRAL. J. CHEM., 42,(1989) N, C. 301-314

  摘要：

  DOI：

文献信息

• Old Yellow Enzyme-mediated reduction of β-cyano-α,β-unsaturated esters for the synthesis of chiral building blocks: stereochemical analysis of the reaction
  作者：Elisabetta Brenna、Francesco G. Gatti、Alessia Manfredi、Daniela Monti、Fabio Parmeggiani

  DOI：10.1039/c3cy20804d

  日期：——

  acid derivatives for foldamer chemistry applications. The stereochemical outcome of the biotransformations was carefully analysed by means of deuterium labeling experiments. The results of this analysis were employed to rationalise the effects of substrate-control on the stereoselectivity of a certain class of ene-reductase-mediated reduction reactions. A simple model was developed to describe the structural

  为了扩大这种反应在制备有机化学领域中的适用性，研究了贝克酵母和老黄酶介导的β-氰基-α，β-不饱和酯的碳-碳双键还原。对映选择性还原这些双官能化基板的合成显着性示出通过考虑饱和手性氰基酯转化为γ 2-用于折叠剂化学应用的氨基酸衍生物。通过氘标记实验仔细分析了生物转化的立体化学结果。该分析的结果被用来合理化底物控制对某类烯-还原酶介导的还原反应的立体选择性的影响。开发了一个简单的模型来描述OYE1-3酶结合位点内底物最佳排列的结构前提。
• Surgical adhesive
  申请人：SANYO CHEMICAL INDUSTRIES LTD.

  公开号：EP0332405A2

  公开（公告）日：1989-09-13

  Elastomeric or flexible surgical adhesives, arising [A] NCO-­tested hydrophilic urethane prepolymer derived from fluorine-­containing polyisocyanate and hydrophilic polyether polyol of higher oxyethylene content, or combination of [A] with [B] unsaturated cyano compound containing cyano group attached to a carbon atom constituting the polyerizable double bond, are of lower toxicity and used with safety for bonding of tissues, with rapid cure rate and sufficient bonding power.

  由含氟多异氰酸酯和氧乙烯含量较高的亲水性聚醚多元醇衍生的[A]经 NCO 测试的亲水性聚氨酯预聚物，或[A]与[B]不饱和氰基化合物（含有连接到构成可聚合双键的碳原子上的氰基）组合而成的弹性或柔性外科粘合剂毒性较低，可安全用于粘合组织，具有快速固化率和足够的粘合力。
• Method for producing thermally crosslinkable polymers in a planetary roller extruder
  申请人：Entex Rust & Mitschke GmbH

  公开号：US11186011B2

  公开（公告）日：2021-11-30

  A method for producing thermally crosslinkable polymers in a planetary roller extruder is presented. The planetary roller extruder has a filling part and a compounding part made of a roller cylinder region that comprises at least two, preferably at least three coupled roller cylinders, planetary spindles of which are driven by a common central spindle. The polymers are supplied in a plasticized state. The filling part is supplied with a vacuum. The flow temperatures of the central spindle and the at least two roller cylinders under a vacuum are set such that the polymers to be degassed remain in the plasticized state. One or more liquids, such as thermal crosslinkers, crosslinking accelerators, dye solutions, or dye dispersions, are metered to the plasticized polymers downstream of the vacuum degassing, preferably in a continuous manner. Finally, the resulting mixture is directly supplied to a coating assembly.

  本发明提出了一种在行星辊挤压机中生产热交联聚合物的方法。行星辊挤压机有一个由辊筒区域组成的填充部分和混料部分，辊筒区域由至少两个，最好是至少三个耦合辊筒组成，辊筒的行星主轴由一个共同的中心主轴驱动。聚合物以塑化状态供应。填充部分为真空状态。中央主轴和至少两个辊筒在真空状态下的流动温度设定为使待脱气的聚合物保持塑化状态。将一种或多种液体，如热交联剂、交联促进剂、染料溶液或染料分散液，计量到真空脱气下游的塑化聚合物中，最好是连续计量。最后，将得到的混合物直接供应给涂层组件。
• Method of preventing abuse of opioid dosage forms
  申请人：Palermo J. Philip

  公开号：US20050192309A1

  公开（公告）日：2005-09-01

  The invention relates in part to a method of reducing the abuse potential of an oral dosage form of an opioid analgesic, wherein an analgesically effective amount of an orally active opioid agonist is combined with an opioid antagonist into an oral dosage form which would require at least a two-step extraction process to be separated from the opioid agonist, the amount of opioid antagonist including being sufficient to counteract opioid effects if extracted together with the opioid agonist and administered parenterally.

  本发明部分涉及一种降低阿片类镇痛剂口服剂型滥用可能性的方法，其中将镇痛有效量的口服活性阿片类激动剂与阿片类拮抗剂结合到口服剂型中，该口服剂型至少需要两步提取过程才能与阿片类激动剂分离，其中阿片类拮抗剂的量如果与阿片类激动剂一起提取并进行肠外给药，则足以抵消阿片类作用。
• McFadden, Helen G.; Harris, Roger L. N.; Jenkins, Colin L. D., Australian Journal of Chemistry, 1989, vol. 42, # 2, p. 301 - 314
  作者：McFadden, Helen G.、Harris, Roger L. N.、Jenkins, Colin L. D.

  DOI：——

  日期：——