ETHYL 4-NITROBENZOYLACETATE

CAS No.：838-57-3

Important Notice

This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
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ETHYL 4-NITROBENZOYLACETATE Basic information

Product Name:	ETHYL 4-NITROBENZOYLACETATE
Synonyms:	Acetic acid, (p-nitrobenzoyl)-, ethyl ester;3-keto-3-(4-nitrophenyl)propionic acid ethyl ester;3-Oxo-3-(p-nitrophenyl)propionic acid, ethyl e;4-Nitro-b-oxo-benzenepropanoic acid ethyl ester;Ethyl 3-oxo-3-(4-nitrophenyl)propanoate;NSC 62134;Benzenepropanoic acid, 4-nitro-β-oxo-, ethyl ester;ETHYL 4-NITROBENZOYLACETAT
CAS:	838-57-3
MF:	C11H11NO5
MW:	237.21
EINECS:	212-656-7
Product Categories:	Aromatic Esters;Benzoic acid;C10 to C11;Carbonyl Compounds;Esters
Mol File:	838-57-3.mol

ETHYL 4-NITROBENZOYLACETATE Chemical Properties

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
pka	8.70±0.25(Predicted)
form	powder to crystal
color	White to Light yellow to Light orange
BRN	1124763
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 Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	24/25-36/37-26
WGK Germany	2
RTECS	AJ1073500
TSCA	Yes
HazardClass	IRRITANT
HS Code	29183000

MSDS Information

Provider	Language
ACROS	English
ALFA	English

ETHYL 4-NITROBENZOYLACETATE Usage And Synthesis

Chemical Properties	yellow fine crystalline powder
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.
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

ETHYL 4-NITROBENZOYLACETATE Preparation Products And Raw materials

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