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4-Nitrobenzyl 3-oxobutanoate(CAS: 61312-84-3)

4-Nitrobenzyl 3-oxobutanoate
CAS Number

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Basic Information

Molecular Formula
C11H11NO5
Molecular Weight
237.21 g/mol

Physical Properties

Melting Point
42.0 to 46.0 deg-C
Boiling Point
376.5°C at 760 mmHg
Density
1.3±0.1 g/cm3
Flash Point
170.5±24.3 °C

Chemical Identifiers

SMILES
CC(=O)CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
InChIKey
KQPGVCMZXFBYMM-UHFFFAOYSA-N

Database References

MDL Number
MFCD00799237

FAQ

4-Nitrobenzyl 3-oxobutanoate is a crystalline compound with a molecular weight of approximately 268.12 g/mol. It has a solubility of about 0.035 g/L in water. The compound is reactive and susceptible to hydrolysis under basic conditions. It is also sensitive to heat and light, leading to decomposition.
4-Nitrobenzyl 3-oxobutanoate is typically synthesized via a multi-step process involving the formation of a nitrobenzyl ester followed by the introduction of a 3-oxobutanoate moiety. Common methods include the reaction of 4-nitrobenzyl chloroformate with 3-oxobutanoic acid in the presence of a catalytic amount of a base, such as triethylamine, with yields of up to 90%.
4-Nitrobenzyl 3-oxobutanoate is used in the pharmaceutical industry for the synthesis of various organic compounds and as a protective group in chemical reactions. It is also utilized in the polymer industry for the modification of polymers and in the semiconductor industry for the development of functional materials and sensors.
When handling 4-Nitrobenzyl 3-oxobutanoate, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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