| Identification | More | [Name]
ETHYL 4-NITROBENZOYLACETATE | [CAS]
838-57-3 | [Synonyms]
4-NITROBENZOYLACETIC ACID ETHYL ESTER
AKOS BC-0951
ETHYL 2-(4-NITROBENZOYL) ACETATE
ETHYL 3-(4-NITROPHENYL)-3-OXOPROPANOATE
ETHYL 3-OXO-3-(P-NITROPHENYL)PROPIONATE
ETHYL 4-NITROBENZOYLACETATE
ETHYL P-NITROBENZOYLACETATE
LABOTEST-BB LT00847933
P-NITROBENZOYLACETIC ACID ETHYL ESTER
(p-nitrobenzoyl)-aceticaciethylester
4-nitro-beta-oxo-benzenepropanoicaciethylester
ethyl4-nitro-beta-oxobenzenepropanoate
3-(4-Nitrophenyl)-3-oxopropanoic acid ethyl ester
3-Oxo-3-(4-nitrophenyl)propanoic acid ethyl ester
4-Nitro-β-oxobenzenepropanoic acid ethyl ester
benzenepropanoic acid, 4-nitro-beta-oxo-, ethyl ester | [EINECS(EC#)]
212-656-7 | [Molecular Formula]
C11H11NO5 | [MDL Number]
MFCD00007357 | [Molecular Weight]
237.21 | [MOL File]
838-57-3.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow fine crystalline powder | [Melting point ]
67-71 °C | [Boiling point ]
379.74°C (rough estimate) | [density ]
1.3350 (rough estimate) | [refractive index ]
1.5300 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
8.70±0.25(Predicted) | [color ]
White to Light yellow to Light orange | [BRN ]
1124763 | [InChI]
InChI=1S/C11H11NO5/c1-2-17-11(14)7-10(13)8-3-5-9(6-4-8)12(15)16/h3-6H,2,7H2,1H3 | [InChIKey]
NGRXSVFCLHVGKU-UHFFFAOYSA-N | [SMILES]
C1(C=CC([N+]([O-])=O)=CC=1)C(=O)CC(=O)OCC | [CAS DataBase Reference]
838-57-3(CAS DataBase Reference) | [EPA Substance Registry System]
Benzenepropanoic acid, 4-nitro-.beta.-oxo-, ethyl ester (838-57-3) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
2 | [RTECS ]
AJ1073500 | [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29183000 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow fine crystalline powder | [Uses]
Reactant involved in:
- Synthesis of β-1,3-dicarbonyl aldehydes via oxidation
- Knoevenagel condensation using a lysine catalyst
- Cycloisomerization fo rthe synthesis of trisubstituted furans
- Fluorination by HF and iodosylbenzene
- Intramolecular Michael addition reactions for synthesis of benzylbutyrolactones
- Synthesis of diols via reduction of aromatic and aliphatic ketos esters
- Cross-coupling reactions for stereoselective synthesis of unsymmetrical 1,4-enediones
| [Uses]
It is employed as a reactant involved in synthesis of β-1,3-dicarbonyl aldehydes via oxidation, knoevenagel condensation using a lysine catalyst, and cycloisomerization for the synthesis of trisubstituted furans. It is also a reactant for the fluorination by HF and iodosylbenzene, intramolecular Michael addition reactions and synthesis of diols. Also applied in the synthesis of diols via reduction of aromatic and aliphatic ketos esters6 and cross-coupling reactions for stereo selective synthesis of unsymmetrical 1,4-enediones. |
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