Ethyliden-cyanessigsaeure-methylester | 53982-98-2

• 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: Ethyliden-cyanessigsaeure-methylester
• 英文别名: Methyl 2-cyanobut-2-enoate
• CAS: 53982-98-2
• 化学式: C₆H₇NO₂
• 分子量: 125.127
• InChiKey: XGCUJZHZZAXYDW-UHFFFAOYSA-N

物化性质

• 沸点：
  198.6±23.0 °C(Predicted)
• 密度：
  1.061±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  Ethyliden-cyanessigsaeure-methylester 在 哌啶 、 盐酸 、 sulfur 、 一水合肼 、 三氯氧磷 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 水 为溶剂， 生成 4-hydrazino-2-thiophen-2-yl-thieno[2,3-d]pyrimidine
  参考文献：
  名称：

  Discovery of thienopyrimidine-based FLT3 inhibitors from the structural modification of known IKKβ inhibitors

  摘要：

  Inactivation of the NF-kappa B signaling pathway by inhibition of IKK beta is a well-known approach to treat inflammatory diseases such as rheumatoid arthritis and cancer. Thienopyrimidine-based analogues were designed through modification of the known IKKb inhibitor, SPC-839, and then biologically evaluated. The resulting analogues had good inhibitory activity against both nitric oxide and TNF-alpha, which are well-known inflammatory responses generated by activated NF-kappa B. However, no inhibitory activity against IKK beta was observed with these compounds. The thienopyrimidine-based analogues were subsequently screened for a target kinase, and FLT3, which is a potential target for acute myeloid leukemia (AML), was identified. Thienopyrimidine-based FLT3 inhibitors showed good inhibition profiles against FLT3 under 1 mu M. Overall, these compounds represent a promising family of inhibitors for future development of a treatment for AML. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.04.058
• 作为产物：
  描述：

  甲醇 、 α-Cyancrotonsaeure 在 硫酸 作用下， 生成 Ethyliden-cyanessigsaeure-methylester
  参考文献：
  名称：

  Young et al., Journal of the American Chemical Society, 1944, vol. 66, p. 811

  摘要：

  DOI：

文献信息

• 2-Metallo-2-nitropropanes as isopropylidene transfer reagents for the cyclopropanation of electrophilic alkenes. Application to the synthesis of trans-chrysanthemic acid
  作者：A. Krief、L. Hevesi、G. Chaboteaux、P. Mathy、M. Sevrin、M. J. De Vos

  DOI：10.1039/c39850001693

  日期：——

  2-Metallo-2-nitropropanes have been successfully used for the cyclopropanation of electrophilic alkenes and act as isopropylidene transfer reagents.

  2-金属-2-硝基丙烷已成功用于亲电子烯烃的环丙烷化反应，并用作异亚丙基转移试剂。
• Cycloalkyl carboxylic acid amides, their production and their use as fungicides in agriculture
  申请人：BASF Aktiengesellschaft

  公开号：US06441044B1

  公开（公告）日：2002-08-27

  The present invention relates to cycloalkylcarboxamides of formula I where: A is optionally substituted C3-C6-cycloalkyl; Alk is straight-chain or branched C1-C6-alkylene; R1 is optionally substituted C1-C6-alkyl or C2-C6-alkenyl; R2, R3 is hydrogen, or is optionally halogenated C1-C6-alkyl or C2-C6-alkenyl; W is an optionally substituted fused bicyclic ring system having in each case six ring atoms, where one or two carbon ring atoms may be replaced by nitrogen atoms; and their agriculturally useful salts. Furthermore, the invention relates to fungicidal compositions comprising a compound of formula I as crop protection agent.

  本发明涉及式I的环烷基羧酰胺，其中：A是可选取的取代C3-C6环烷基；Alk是直链或支链C1-C6烷基；R1是可选取的取代C1-C6烷基或C2-C6烯基；R2，R3是氢，或是可选取的卤代C1-C6烷基或C2-C6烯基；W是每种情况下具有六个环原子的可选取的融合双环环系，其中一个或两个碳环原子可被氮原子取代；以及它们的农业有用盐。此外，本发明还涉及含有式I化合物的杀菌剂组合物作为作物保护剂。
• Stereoselective electrocatalytic transformation of malonate and alkylidenecyanoacetates into (E)-3-substituted 2-cyanocyclopropane-1,1,2-tricarboxylates
  作者：Michail N. Elinson、Sergey K. Feducovich、Zoya A. Starikova、Anatolii N. Vereshchagin、Pavel A. Belyakov、Gennady I. Nikishin

  DOI：10.1016/j.tet.2006.02.027

  日期：2006.4

  Electrolysis of malonate and alkylidenecyanoacetates in alcohols in an undivided cell in the presence of NaBr results in stereoselective formation of (E)-3-substituted 2-cyanocyclopropane-1,1,2-tricarboxylates in 75-90% yields. (c) 2006 Published by Elsevier Ltd.
• Evolution de quelques isoxazolidines en milieu basique
  作者：M. Joucla、J. Hamelin、R. Carrie

  DOI：10.1016/s0040-4020(01)97278-3

  日期：1974.1
• Joucla,M. et al., Bulletin de la Societe Chimique de France, 1973, p. 3116 - 3118
  作者：Joucla,M. et al.

  DOI：——

  日期：——