ChemicalBook--->CAS DataBase List--->40497-11-8

40497-11-8

40497-11-8 Structure

40497-11-8 Structure
IdentificationMore
[Name]

Ethyl 2,3-dicyanopropionate
[CAS]

40497-11-8
[Synonyms]

ETHYL 2,3-DICYANOPROPIONATE
2,3-Dicyanobenzoic acid,ethyl ester
2,3-Ethyldicyanopropionate
ethyl 2,3-dicyanopropanoate
2,3-Dicyanopropionate ethyl ester
2,3-DICYANOPROPIONATE, 98%
2,3-Dicyanopropanoic Acid Ethyl Ester
2,3-Dicyanopropionic Acid Ethyl Ester
[EINECS(EC#)]

609-836-6
[Molecular Formula]

C7H8N2O2
[MDL Number]

MFCD08061844
[Molecular Weight]

152.15
[MOL File]

40497-11-8.mol
Chemical PropertiesBack Directory
[Appearance]

Brown Oil
[Boiling point ]

120-135 °C
[density ]

1.129±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol
[form ]

Oil
[color ]

Clear Light Brown to Yellow
[Usage]

An intermediate for insecticide
[InChI]

InChI=1S/C7H8N2O2/c1-2-11-7(10)6(5-9)3-4-8/h6H,2-3H2,1H3
[InChIKey]

NPZOLWMDTPEVEI-UHFFFAOYSA-N
[SMILES]

C(OCC)(=O)C(C#N)CC#N
[CAS DataBase Reference]

40497-11-8(CAS DataBase Reference)
Questions And AnswerBack Directory
[Synthesis]

The preparation method of Ethyl 2,3-dicyanopropionate is to add potassium cyanide solution and ethyl cyanoacetate into the reaction flask, use dimethyl sulfoxide as solvent, slowly add formaldehyde solution to the solution, and maintain the reaction temperature at 5 ℃ After the addition, the reaction was continued at 20°C for 15h, then the reaction solution was added to ice water, the organic layer was separated, the aqueous layer was extracted with a solvent, the organic layers were mixed, dried and desolubilized to obtain the product. Reaction equation:
HCHO+KCN+CNCH2COOC2H5→CNCH2—CHCNCOOC2H5
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Formaldehyde-->Dimethyl sulfoxide-->Ethyl cyanoacetate-->POTASSIUM CYANIDE-->2-Propenoic acid, 3-[(4-methylphenyl)sulfonyl]-, ethyl ester, (2E)--->CYANOGEN-->Tetraethylammonium cyanide-->Ethyl 2-cyanoacrylate-->Diethyl malonate-->Ethanol-->Carbon dioxide-->Trimethylsilyl cyanide-->Ethyl acrylate-->sodium:cyanide-->Diethyl sulfate-->Glycolonitrile
[Preparation Products]

Fipronil-->5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole-->Propanamide, 2,3-dicyano-
Safety DataBack Directory
[HS Code ]

2926907090
Hazard InformationBack Directory
[Chemical Properties]

Brown Oil
[Uses]

An intermediate for insecticide
[References]

[1] Patent: WO2011/107998, 2011, A1. Location in patent: Page/Page column 20-21
[2] Patent: US2013/30190, 2013, A1. Location in patent: Paragraph 0069
[3] Patent: WO2006/3501, 2006, A1. Location in patent: Page/Page column 11-12
[4] Chemical Research in Toxicology, 1998, vol. 11, # 12, p. 1529 - 1535
[5] Patent: WO2011/86570, 2011, A1. Location in patent: Page/Page column 13-14
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 2,3-dicyanopropionate(40497-11-8)1HNMR
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