乙基(氯亚甲基)氰基乙酸酯 | 78872-04-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 乙基(氯亚甲基)氰基乙酸酯
• 英文名称: Ethyl(chloromethylene)cyanoacetate
• 英文别名: 3-chloro-2-cyano-acrylic acid ethyl ester；3-Chlor-2-cyan-acrylsaeure-aethylester；ethyl (chloromethylene)cyanoacetate；ethyl 3-chloro-2-cyanoprop-2-enoate
• CAS: 78872-04-5
• 化学式: C₆H₆ClNO₂
• 分子量: 159.572
• InChiKey: IGMYFWGCIXEWSD-UHFFFAOYSA-N

物化性质

• 沸点：
  228.1±25.0 °C(Predicted)
• 密度：
  1.234±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  乙基(氯亚甲基)氰基乙酸酯 在 sodium azide 、 水 作用下， 以 丙酮 为溶剂， 生成 ethyl dicyanoacetate
  参考文献：
  名称：

  Friedrich,K.; Thieme,H.K., Chemische Berichte, 1970, vol. 103, p. 1982 - 1991

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 五氯化磷 作用下， 生成 乙基(氯亚甲基)氰基乙酸酯
  参考文献：
  名称：

  Urushibara, Bulletin of the Chemical Society of Japan, 1931, vol. 6, p. 30

  摘要：

  DOI：

文献信息

• Reactions of cyanoalkenes with a tungsten hydrazido (2–) complex: the X-ray crystal structure of [WBr(dppe)₂{NC(Br)C(CN)C(CN)₂}], a bromotricyanoprop-2-enylideneamino-complex
  作者：Howard M. Colquhoun、Allan E. Crease、Stephen A. Taylor、David J. Williams

  DOI：10.1039/c39820000736

  日期：——

  Cyanoalkenes react with the dinitrogen-derived hydrazido(2–) complex [WBr(dppe)2N2H2]+ Br–(1) to form either vinyldiazenido-complexes or, after loss of the hydrazido (2–) ligand, to form nitrile-derived methyleneamino-complexes; the product of reaction with tetracyanoethylene is a bromotricyanoprop-2-enylideneamino-complex which has been characterised by single-crystal X-ray analysis.

  氰基烯烃与源自二氮的hydrazido（2-）配合物[WBr（dppe）2 N 2 H 2 ] + Br –（1）反应形成乙烯基二氮杂烯基配合物，或在失去hydrazido（2-）配体后形成形成腈衍生的亚甲基氨基配合物; 与四氰基乙烯反应的产物是溴基氰基丙-2-烯基亚氨基氨基络合物，其特征是通过单晶X射线分析来表征。
• Novel antifungal agent containing heterocyclic compound
  申请人：Nakamoto Kazutaka

  公开号：US20070105943A1

  公开（公告）日：2007-05-10

  The present invention provides an antifungal agent represented by the formula: [wherein A 1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X 1 represents a group represented by the formula —NH—C(═O)—, a group represented by the formula —C(═O)—NH—, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A 1 may have 1 to 3 substituents, and E has one or two substituents].

  本发明提供了一种抗真菌剂，其表示为以下式子： [其中A1表示一个3-吡啶基团，可能具有取代基，喹啉基团，可能具有取代基或类似物；X1表示由公式—NH—C（═O）—，由公式—C（═O）—NH—或类似物表示的基团；E表示呋喃基团，噻吩基团，吡咯基团，苯基团，吡啶基团，四唑基团，噻唑基团或吡唑基团；但A1可能具有1到3个取代基，E具有一个或两个取代基。]
• Novel Antimalarial Agent Containing Heterocyclic Compound
  申请人：Nakamoto Kazutaka

  公开号：US20090227799A1

  公开（公告）日：2009-09-10

  Disclosed is an antimalarial agent containing a compound represented by the formula: [wherein A 1 represents a 3-pyridyl group that may have a substituent, a 6-quinolyl group that may have a substituent, or the like; X 1 represents a group represented by the formula —C(═O)—NH— or the like; E represents a furyl group, a thienyl group or a phenyl group; with the proviso that A 1 may have one to three substituents, and E has one of two substituents] or a salt thereof or hydrates thereof.

  揭示了一种抗疟疾剂，其包含由下式表示的化合物： [其中A1表示一个3-吡啶基团，可以有取代基，一个6-喹啉基团，可以有取代基或类似物；X1表示一个由公式-C（═O）-NH-或类似物表示的基团；E表示一个呋喃基团，噻吩基团或苯基团；但前提是A1可以有1到3个取代基，E有两个取代基之一]或其盐或水合物。
• NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND
  申请人：NAKAMOTO Kazutaka

  公开号：US20110195999A1

  公开（公告）日：2011-08-11

  The present invention provides an antifungal agent represented by the formula: wherein A 1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X 1 represents a group represented by the formula —NH—C(═O)—, a group represented by the formula —C(═O)—NH—, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A 1 may have 1 to 3 substituents, and E has one or two substituents.

  本发明提供一种抗真菌剂，其化学式如下： 其中，A1代表3-吡啶基，可以有取代基，喹啉基，也可以有取代基等；X1代表由公式—NH—C（═O）—，由公式—C（═O）—NH—等表示的基团；E代表呋喃基，噻吩基，吡咯基，苯基，吡啶基，四唑基，噻唑基或吡唑基；但要求A1可能有1到3个取代基，E有1或2个取代基。
• Antifungal agent containing heterocyclic compound
  申请人：Eisai R&D Management Co., Ltd.

  公开号：US07932272B2

  公开（公告）日：2011-04-26

  The present invention provides an antifungal agent represented by the formula: [wherein A1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X1 represents a group represented by the formula —NH—C(═O)—, a group represented by the formula —C(═O)—NH—, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A1 may have 1 to 3 substituents, and E has one or two substituents].

  本发明提供了一种抗真菌剂，其化学式如下：[其中A1代表3-吡啶基，可以具有取代基，喹啉基，也可以具有取代基等；X1代表由公式—NH—C（═O）—，由公式—C（═O）—NH—等表示的基团；E代表呋喃基，噻吩基，吡咯基，苯基，吡啶基，四唑基，噻唑基或吡唑基；限制条件是A1可以有1到3个取代基，E有一个或两个取代基]。