ethyl 3-(4-nitrophenyl)but-2-enoate

Modify Date: 2025-09-15 11:30:38

ethyl 3-(4-nitrophenyl)but-2-enoate structure	Common Name	ethyl 3-(4-nitrophenyl)but-2-enoate
	CAS Number	80854-57-5	Molecular Weight	235.23600
	Density	1.184g/cm3	Boiling Point	329.5ºC at 760 mmHg
	Molecular Formula	C₁₂H₁₃NO₄	Melting Point	N/A
	MSDS	N/A	Flash Point	134.7ºC

Name	ethyl (E)-3-(4-nitrophenyl)but-2-enoate

Density	1.184g/cm3
Boiling Point	329.5ºC at 760 mmHg
Molecular Formula	C₁₂H₁₃NO₄
Molecular Weight	235.23600
Flash Point	134.7ºC
Exact Mass	235.08400
PSA	72.12000
LogP	3.08440
Index of Refraction	1.547
InChIKey	GXKAVJLXZLKIAJ-CMDGGOBGSA-N
SMILES	CCOC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1

EDA

CAS#:623-73-4

4-Nitroacetophenone

CAS#:100-19-6

~67%

ethyl 3-(4-nitr...

CAS#:80854-57-5

Literature: Pedro, Filipe M.; Hirner, Sebastian; Kuehn, Fritz E. Tetrahedron Letters, 2005 , vol. 46, # 45 p. 7777 - 7779

ethyl (E)-3-phe...

CAS#:1504-72-9

ethyl 3-(4-nitr...

CAS#:80854-57-5

Literature: Schroeter; Wuelfing Chemische Berichte, 1907 , vol. 40, p. 1594

Triethyl phosph...

CAS#:867-13-0

4-Nitroacetophenone

CAS#:100-19-6

ethyl 3-(4-nitr...

CAS#:80854-57-5

Literature: Baker,B.R.; Lourens,G.J. Journal of Medicinal Chemistry, 1968 , vol. 11, # 4 p. 672 - 676

Precursor 4
CAS#:623-73-4 EDA CAS#:100-19-6 4-Nitroacetophenone CAS#:1504-72-9 ethyl (E)-3-phe... CAS#:867-13-0 Triethyl phosph...
DownStream 2
CAS#:21316-15-4 4-[3-(4-nitroph... CAS#:80854-59-7 (E)-3-(4-nitrop...

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