2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-, ethyl ester

Modify Date: 2025-09-18 17:48:48

2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-, ethyl ester Structure
2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-, ethyl ester structure
Common Name 2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-, ethyl ester
CAS Number 2286-55-7 Molecular Weight 261.27300
Density 1.163g/cm3 Boiling Point 408.6ºC at 760mmHg
Molecular Formula C14H15NO4 Melting Point N/A
MSDS N/A Flash Point 178.7ºC

 Names

Name ethyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.163g/cm3
Boiling Point 408.6ºC at 760mmHg
Molecular Formula C14H15NO4
Molecular Weight 261.27300
Flash Point 178.7ºC
Exact Mass 261.10000
PSA 68.55000
LogP 2.17388
Vapour Pressure 6.9E-07mmHg at 25°C
Index of Refraction 1.544
InChIKey PRSFEPRXXOXYKF-XFFZJAGNSA-N
SMILES CCOC(=O)C(C#N)=Cc1ccc(OC)c(OC)c1

 Safety Information

HS Code 2926909090

 Synthetic Route

~98%

2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-, ethyl ester Structure

2-Propenoic aci...

CAS#:2286-55-7

Literature: EP2045243 A1, ; Page/Page column 9 ; EP 2045243 A1

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2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-, ethyl ester Structure

2-Propenoic aci...

CAS#:2286-55-7

Literature: Recueil des Travaux Chimiques des Pays-Bas, , vol. 45, p. 358 Recueil des Travaux Chimiques des Pays-Bas, , vol. 47, p. 734

~%

2-Propenoic acid,2-cyano-3-(3,4-dimethoxyphenyl)-, ethyl ester Structure

2-Propenoic aci...

CAS#:2286-55-7

Literature: Chem. Zentralbl., , vol. 75, # II p. 903

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Bioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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 Synonyms

3-allyl-2-oxo-cyclohexanecarboxylic acid ethyl ester
ethyl 3,4-dimethoxybenzalcyanoacetate
Cyclohexanecarboxylic acid,2-oxo-3-(2-propenyl)-,ethyl ester
ethyl3-(3,4-dihydroquinolin-1(2H)-yl)oxopropanoate
3-(3,4-dihydro-2H-quinolin-1-yl)-2-oxopropionic acid ethyl ester
ethyl-3-(3,4-dimethoxyphenyl)-2-cyanoprop-2-enoate
2-Cyan-3-(3,4-dimethoxy-phenyl)-acrylsaeure-aethylester
ethyl 2-oxo-3-(2'-propenyl)cyclohexane-1-carboxylate
3.4-Dimethoxy-benzylidencyanessigsaeure-aethylester
3-Allyl-2-oxo-cyclohexancarbonsaeure-aethylester
2-cyano-3-(3,4-dimethoxy-phenyl)-acrylic acid ethyl ester
Veratrylidencyanessigsaeure-aethylester
Opt.-inakt. 2-Oxo-3-allyl-cyclohexan-carbonsaeure-(1)-aethylester
ethyl-3-(2-propenyl)-2-oxo-cyclohexanecarboxylate
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