methyl 2-cyanobutanoate | 53692-87-8

• 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 2-cyanobutanoate
• 英文别名: ethylcyanoacetate；2-cyano-butyric acid methyl ester；2-Cyan-buttersaeure-methylester；methyl (+/-)-2-cyanobutyrate
• CAS: 53692-87-8
• 化学式: C₆H₉NO₂
• 分子量: 127.143
• InChiKey: DZTZUXKILWFDMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 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：

  methyl 2-cyanobutanoate 在 甲醇 、 sodium methylate 作用下， 生成 2-ethyl-2-cyano-butyric acid methyl ester
  参考文献：
  名称：

  Murayama, Chemical and pharmaceutical bulletin, 1958, vol. 6, p. 186,190

  摘要：

  DOI：
• 作为产物：
  描述：

  碘乙烷 、 氰乙酸甲酯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 苯 为溶剂， 生成 methyl 2-cyanobutanoate
  参考文献：
  名称：

  MONOALKYLATION OF METHYL CYANOACETATE AND ACETYLACETONE USING 1,8-DIAZA-BICYCLO[5.4.0]UNDECENE-7

  摘要：

  本文介绍了一种以1,8-二氮杂双环[5.4.0]十一碳-7-烯（DBU）为碱，选择性单烷基化氰基乙酸甲酯和乙酰丙酮的简单方法。

  DOI：

  10.1246/cl.1977.871

文献信息

• [EN] 4 -HYDROXY- ISOQUINOLINE COMPOUNDS AS HIF HYDROXYLASE INHIBITORS<br/>[FR] COMPOSÉS 4-HYDROXY-ISOQUINOLÉINE COMME INHIBITEURS D'HYDROXYLASE HIF
  申请人：FIBROGEN INC

  公开号：WO2013134660A1

  公开（公告）日：2013-09-12

  The present invention relates to novel compounds of formula (I), and compositions capable of inhibiting PHD1 enzyme activity selectively over other isoforms, for example, PHD2 and/or PHD3 enzymes. The invention also relates to compounds of formula (I) for use in disorders such as muscle degeneration, colitis, IBD, and certain ischemias.

  本发明涉及式(I)的新化合物，以及能够选择性地抑制PHD1酶活性而不影响其他同工酶（例如PHD2和/或PHD3酶）的组合物。该发明还涉及式(I)的化合物在肌肉退化、结肠炎、炎症性肠病和某些缺血症等疾病中的应用。
• <i>tert</i>-Butoxide-Mediated Arylation of 2-Substituted Cyanoacetates with Diaryliodonium Salts
  作者：Xiaofei Qian、Jianwei Han、Limin Wang

  DOI：10.1002/adsc.201501013

  日期：2016.3.17

  A transition metal‐free direct arylation of 2‐substituted cyanoacetates with diaryliodonium salts was developed. With this approach, a wide range of α‐tolunitrile derivatives has been synthesized in good to excellent yields of 45–92%. Furthermore, the practicability of this approach is further manifested in the synthesis of a related bioactive agent of glutarimide.

  开发了无过渡金属的2-取代氰基乙酸盐与二芳基碘鎓盐的直接芳基化反应。通过这种方法，已经合成了范围广泛的α-甲苯二酚衍生物，收率高达45％至92％。此外，该方法的实用性在戊二酰亚胺的相关生物活性剂的合成中得到进一步证明。
• Cephalosporin compounds
  申请人：Lucky, Ltd.

  公开号：US05202315A1

  公开（公告）日：1993-04-13

  The present invention relates to new cephalosporin compounds of the formula(I), pharmaceutically acceptable non-toxic salts thereof, and physiologically hydrolyzable esters and solvates thereof, which have potent and broad antibacterial activities ##STR1## wherein R.sup.1 is a C.sub.1.about.4 alkyl, C.sub.3.about.4 alkenyl, C.sub.3.about.4 alkynyl group, or --C(R.sup.a)(R.sup.b)CO.sub.2 H.sub.1 wherein R.sup.a and R.sup.b are the same or different, and each is a hydrogen atom or a C.sub.1.about.4 alkyl group, or R.sup.a and R.sup.b form a C.sub.3.about.7 cycloalkyl group with the carbon atom to which they are linked; R.sup.2 is a C.sub.1.about.4 alkyl, C.sub.3.about.4 alkenyl or C.sub.3.about.4 cycloalkyl group, a substituted or unsubstituted amino group, or a substituted or unsubstituted phenyl group; R.sup.3 is hydrogen or a C.sub.1.about.4 alkyl group; and Q is N or CH. The invention further relates to a process for preparing said compounds, and to pharamaceutical compositions containing said compounds.

  本发明涉及新的头孢菌素化合物的公式(I)，其药学上可接受的非毒性盐，以及具有强大和广谱抗菌活性的生理水解酯和溶剂化合物。其中R.sup.1是C.sub.1到4烷基，C.sub.3到4烯基，C.sub.3到4炔基，或--C(R.sup.a)(R.sup.b)CO.sub.2 H.sub.1，其中R.sup.a和R.sup.b相同或不同，且每个都是氢原子或C.sub.1到4烷基，或R.sup.a和R.sup.b形成与它们连接的碳原子的C.sub.3到7环烷基；R.sup.2是C.sub.1到4烷基，C.sub.3到4烯基或C.sub.3到4环烷基，一个取代或未取代的氨基团，或一个取代或未取代的苯基；R.sup.3是氢或C.sub.1到4烷基；Q是N或CH。该发明还涉及制备所述化合物的方法，以及含有所述化合物的药物组合物。
• Simple Synthesis of Quinoxalin-2(1<i>H</i>)-one<i>N</i>-Oxides from<i>N</i>-Aryl-2-nitrosoanilines and Alkylated Cyanoacetic Esters
  作者：Magdalena Królikiewicz、Zbigniew Wróbel

  DOI：10.1002/jhet.1947

  日期：2014.1

  N‐Aryl‐2‐nitrosoanilines, available from the reaction of N‐arylamines with nitroarenes, condense under alkaline conditions with alkylated derivatives of cyanoacetic esters furnishing quinoxalin‐2(1H)‐one N‐oxides in good to excellent yields. The reaction involves the condensation of the carbanion with the nitroso group leading to the nitrone intermediate, followed by intramolecular acylation of the

  N-芳基-2-亚硝基苯胺可从N-芳基胺与硝基芳烃的反应中获得，在碱性条件下与氰基乙酸酯的烷基化衍生物缩合，可提供喹喔啉-2（1H）-一N-氧化物，收率良好至优异。该反应涉及碳负离子与亚硝基的缩合，生成硝酮中间体，然后分子内将胺官能团酰化。
• 염료화합물 및 이를 포함하는 컬러필터용 수지 조성물
  申请人：Kyung-In Synthetic Corporation (주)경인양행(119981070884) Corp. No ▼ 120111-0005703BRN ▼137-81-00562

  公开号：KR20150119638A

  公开（公告）日：2015-10-26

  본 발명은 용해도 및 내열성이 우수한 컬러필터 수지조성물용 피리돈 아조 염료 화합물에 관한 것으로서, 하기 [화학식 1]과 같이 표시되고, 아크릴기 또는 메타아크릴기를 포함하는 것을 특징으로 하고, 본 발명에 따른 피리돈 아조 염료화합물은 유기용제에 대한 용해도 및 내열성이 우수하여, 이러한 특성을 이용하여 컬러필터 수지 조성물의 착색제로 사용할 경우, 안료를 사용한 경우보다 용해도가 높고, 안료 분산안정성을 위해 추가되는 첨가제의 사용량을 줄일 수 있어, 착색력을 극대화시킬 있는 장점이 있으며, 고색재현이 가능한 장점이 있다. [화학식 1]

  本发明涉及一种具有优异溶解度和耐热性的用于颜色滤光片树脂组合物的吡啶偶氮染料化合物，其表示如下[化学式1]，其特征在于包含丙烯酸基或甲基丙烯酸基。根据本发明的吡啶偶氮染料化合物在有机溶剂中具有优异的溶解度和耐热性，利用这些特性作为颜色滤光片树脂组合物的着色剂时，比使用颜料具有更高的溶解度，并且可以减少用于增加颜料分散稳定性的添加剂的用量，从而最大化着色力，并且具有高色彩再现性的优点。 [化学式1]