Ethyl 3-(4-cyanophenyl)-3-oxopropanoate

Modify Date: 2025-08-27 19:22:59

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure
Ethyl 3-(4-cyanophenyl)-3-oxopropanoate structure
Common Name Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
CAS Number 49744-93-6 Molecular Weight 217.221
Density 1.2±0.1 g/cm3 Boiling Point 358.1±22.0 °C at 760 mmHg
Molecular Formula C12H11NO3 Melting Point N/A
MSDS N/A Flash Point 156.5±12.6 °C

 Names

Name Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 358.1±22.0 °C at 760 mmHg
Molecular Formula C12H11NO3
Molecular Weight 217.221
Flash Point 156.5±12.6 °C
Exact Mass 217.073898
PSA 67.16000
LogP 1.43
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.531

 Safety Information

Hazard Codes Xi
HS Code 2926909090

 Synthetic Route

~33%

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure

Ethyl 3-(4-cyan...

CAS#:49744-93-6

Literature: BIOENERGENIX Patent: US2012/277224 A1, 2012 ; Location in patent: Page/Page column 57 ; US 20120277224 A1

~31%

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure

Ethyl 3-(4-cyan...

CAS#:49744-93-6

Literature: Gasparotto, Venusia; Castagliuolo, Ignazio; Chiarelotto, Gianfranco; Pezzi, Vincenzo; Montanaro, Daniela; Brun, Paola; Palu, Giorgio; Viola, Giampietro; Ferlin, Maria Grazia Journal of Medicinal Chemistry, 2006 , vol. 49, # 6 p. 1910 - 1915

~90%

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure

Ethyl 3-(4-cyan...

CAS#:49744-93-6

Literature: Yadav; Subba Reddy; Eeshwaraiah; Reddy Tetrahedron, 2005 , vol. 61, # 4 p. 875 - 878

~10%

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure

Ethyl 3-(4-cyan...

CAS#:49744-93-6

Literature: Alves, Luis Goncalo; Dazinger, Georg; Veiros, Luis F.; Kirchner, Karl European Journal of Inorganic Chemistry, 2010 , # 20 p. 3160 - 3166

~70%

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure

Ethyl 3-(4-cyan...

CAS#:49744-93-6

Literature: Korsager, Signe; Nielsen, Dennis U.; Taaning, Rolf H.; Skrydstrup, Troels Angewandte Chemie - International Edition, 2013 , vol. 52, # 37 p. 9763 - 9766 Angew. Chem., 2013 , vol. 125, # 37 p. 9945 - 9948

~%

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure

Ethyl 3-(4-cyan...

CAS#:49744-93-6

Literature: Korsager, Signe; Nielsen, Dennis U.; Taaning, Rolf H.; Lindhardt, Anders T.; Skrydstrup, Troels Chemistry - A European Journal, 2013 , vol. 19, # 52 p. 17687 - 17691

~%

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure

Ethyl 3-(4-cyan...

CAS#:49744-93-6

Literature: Specht, Donald P.; Martic, Peter A.; Farid, Samir; ++ Tetrahedron, 1982 , vol. 38, # 9 p. 1203 - 1211

~%

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure

Ethyl 3-(4-cyan...

CAS#:49744-93-6

Literature: Sharma, Lalima; Sattigeri, Jitendra A.; Kumar, Narest; Yadav, Ajay; Momim, Rijwan; Ahmed, Shahadat; Cliffe, Ian A.; Bhatnagar, Pradip Kumar; Ghosh, Sanjay; Raj, V. Samuel; Upadhyay, Dilip J. Patent: US2012/108565 A1, 2012 ;

~%

Ethyl 3-(4-cyanophenyl)-3-oxopropanoate Structure

Ethyl 3-(4-cyan...

CAS#:49744-93-6

Literature: Ishida, Yohsuke; Yoshida, Yuhki; Igarashi, Tetsutaro; Sakurai, Tadamitsu Heterocycles, 2013 , vol. 87, # 8 p. 1691 - 1698

 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%

 Synonyms

Benzenepropanoic acid, 4-cyano-β-oxo-, ethyl ester
Ethyl 3-(4-Cyanophenyl)-3-oxopropionate
Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
3-(4-Cyanophenyl)-3-oxopropionic Acid Ethyl Ester
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