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34-45-7 (乙氧甲叉氰乙酸乙酯,Ethyl (ethoxymethylene)cyanoacetate,98%)

结构式：

乙氧甲叉氰乙酸乙酯结构式图片|34-45-7结构式图片

乙氧甲叉氰乙酸乙酯MOL文件

CAS号：

34-45-7

中文名称：

乙氧甲叉氰乙酸乙酯

英文名称：

Ethyl (ethoxymethylene)cyanoacetate,98%

分子式：

C₈H₁₁NO₃

分子量：

169.177842378616

乙氧甲叉氰乙酸乙酯(34-45-7)名称与标识符

名称

中文别名：

α,α,α-三氟苯乙酮;乙氧甲叉氰乙酸乙酯;

英文别名：

Ethyl .alpha.-(ethoxymethylene)-.alpha.-cyanoacetate;Q27261074;Ethyl (ethoxymethylene)cyanoacetate;MFCD00009136;2-Cyano-3-ethoxyacrylic Acid Ethyl Ester;EINECS 202-299-5;DTXSID4059097;0F33W9H92I;NSC 27797;UNII-53706319OM;Ethyl (ethoxymethylene)cyanoacetate,98%;Ethyl 2-cyano-3-ethoxyacrylate, (2E)-;InChI=1/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6;AI3-23778;Ethyl 2-(Ethoxymethylene)-2-cyanoacetate;W-100217;2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester;Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester;CS-D1211;A15025;Ethyl(ethoxymethylene)cyanoacetate,98%;LS-13436;ethyl (2E)-2-cyano-3-ethoxyprop-2-enoate;34-45-7;A872883;GS-4101;D70133;ethyl (E)-2-cyano-3-ethoxyprop-2-enoate;SR-01000944753;2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester, (2E)-;Ethyl 2-cyano-3-ethoxyacrylate, purum, >=97.0% (GC);Ethyl(ethoxymethylene)cyanoacetate;Ethyl 2-cyano-3-ethoxyacrylate;(E)-ethyl 2-cyano-3-ethoxyacrylate;EC 202-299-5;AKOS000120675;SR-01000944753-1;Ethyl ethoxymethylenecyanoacetate;53706319OM;Z56871461;ethyl 2-cyano-3-ethoxyprop-2-enoate;2-Propenoic acid, 2-cyano-3-ethoxy-, ethyl ester, (E)-;UNII-0F33W9H92I;(E)-ethyl2-cyano-3-ethoxyacrylate;ethyl 2-cyano-3-ethoxy-2-propenoate;AKOS025149119;BP-12003;EN300-17069;F0001-2258;Ethyl 2-cyano-3-ethoxyacrylate, 98%;ethyl (e)-2-cyano-3-ethoxyacrylate;Acrylic acid, 2-cyano-3-ethoxy-, ethyl ester (6CI,7CI,8CI); 2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester; 2-Cyano-3-ethoxy-2-propenoic acid ethyl ester;42466-67-1;Ethyl 3-ethoxy-2-cyanoacrylate;BCP26701;EN300-309098;94-05-3;2-Cyano-3-ethoxy-2-propenoic acid ethyl ester;Ethyl (2E)-2-cyano-3-ethoxy-2-propenoate;2-(Ethoxymethylene)-2-cyanoacetic acid ethyl ester;ethyl (E)-2-cyano-3-ethoxy-2-propenoate;D70566;(2E)-ethyl 2-cyano-3-ethoxyacrylate;E0341;Ethyl cyano(ethoxymethylene)acetate;

标识符

InChIKey：

KTMGNAIGXYODKQ-VOTSOKGWSA-N

Inchi：

1S/C8H11NO3/c1-3-11-6-7(5-9)8(10)12-4-2/h6H,3-4H2,1-2H3/b7-6+

SMILES：

O(C(/C(/C#N)=C/OCC)=O)CC

乙氧甲叉氰乙酸乙酯(34-45-7)物化性质

实验特性

PSA : 59.32

计算特性

精确分子量 : 169.07393
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 5
同位素质量 : 169.07389321g/mol
重原子数量 : 12
复杂度 : 224
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 1
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1
拓扑分子极性表面积 : 59.3Å²

乙氧甲叉氰乙酸乙酯(34-45-7)相关文献

1. Copper-catalyzed cyanation of heterocycle C–H bonds with ethyl(ethoxymethylene)cyanoacetate as a cyanating agent and its mechanism
Ze-lin Li,Kang-kang Sun,Chun Cai Org. Chem. Front. 2018 5 1848
2. Copper-mediated C–H cyanation of (hetero)arenes with ethyl (ethoxymethylene)cyanoacetate as a cyanating agent
Chaorong Qi,Xiaohan Hu,Huanfeng Jiang Chem. Commun. 2017 53 7994
3. Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity
Katja Dankhoff,Madeleine Gold,Luisa Kober,Florian Schmitt,Lena Pfeifer,Andreas Dürrmann,Hana Kostrhunova,Matthias Rothemund,Viktor Brabec,Rainer Schobert,Birgit Weber Dalton Trans. 2019 48 15220
4. Copper(ii) complexes with tridentate Schiff base-like ligands: solid state and solution structures and anticancer activity
Katja Dankhoff,Madeleine Gold,Luisa Kober,Florian Schmitt,Lena Pfeifer,Andreas Dürrmann,Hana Kostrhunova,Matthias Rothemund,Viktor Brabec,Rainer Schobert,Birgit Weber Dalton Trans. 2019 48 15220
5. Synthesis of a poly(amidoxime-hydroxamic acid) cellulose derivative and its application in heavy metal ion removal
Chenlu Jiao,Zhaofa Zhang,Jin Tao,Desuo Zhang,Yuyue Chen,Hong Lin RSC Adv. 2017 7 27787
6. C–CN bond formation: an overview of diverse strategies
Sandeep Pimparkar,Adithyaraj Koodan,Siddhartha Maiti,Nesreen S. Ahmed,Mohamed Mokhtar M. Mostafa,Debabrata Maiti Chem. Commun. 2021 57 2210
7. Revisiting the synthesis of aryl nitriles: a pivotal role of CAN
Rakhee Saikia,Kwihwan Park,Hayato Masuda,Miki Itoh,Tsuyoshi Yamada,Hironao Sajiki,Sanjeev P. Mahanta,Ashim J. Thakur,Utpal Bora Org. Biomol. Chem. 2021 19 1344
8. One-pot regioselective C–H activation iodination–cyanation of 2,4-diarylquinazolines using malononitrile as a cyano source
Ziqiao Yan,Banlai Ouyang,Xunchun Mao,Wei Gao,Zhihong Deng,Yiyuan Peng RSC Adv. 2019 9 18256
9. A comprehensive overview of directing groups applied in metal-catalysed C–H functionalisation chemistry
Carlo Sambiagio,David Sch?nbauer,Remi Blieck,Toan Dao-Huy,Gerit Pototschnig,Patricia Schaaf,Thomas Wiesinger,Muhammad Farooq Zia,Joanna Wencel-Delord,Tatiana Besset,Bert U. W. Maes,Michael Schnürch Chem. Soc. Rev. 2018 47 6603
10. Novel Cu(ii) complexes with NNO-Schiff base-like ligands – structures and magnetic properties
Katja Dankhoff,Birgit Weber CrystEngComm 2018 20 818

目录

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相关产品厂家

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问答

960化工网为您提供乙氧甲叉氰乙酸乙酯专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.34-45-7,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:34-45-7 国际站:34-45-7

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