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Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate(CAS: 152628-01-8)

Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate
CAS Number

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Basic Information

Molecular Formula
C13H16N2O5
Molecular Weight
280.28 g/mol
EINECS
604-865-0
Physical State
White

Physical Properties

Melting Point
150-153°C
Boiling Point
468.1±45.0 °C(Predicted)
Density
1.265
Flash Point
236.9°C

Chemical Identifiers

SMILES
CCCC(=O)NC1=C(C=C(C=C1C)C(=O)OC)[N+](=O)[O-]
InChIKey
IGCBUUTXGYCQAI-UHFFFAOYSA-N

Database References

MDL Number
MFCD08062447

FAQ

Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate has a crystalline form with a molecular weight of approximately 312.33 g/mol. It is moderately soluble in common organic solvents like DMSO and ethanol. The compound is known for its reactivity, particularly towards nucleophilic aromatic substitution and ester hydrolysis.
Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate is synthesized through the amidation of methyl 3-methyl-5-nitrobenzoate with butyryl chloride in the presence of a base like triethylamine. The reaction typically yields a high percentage of the desired product with good selectivity.
Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry for the development of specialized polymers with specific properties.
When handling Methyl 4-(butyrylamino)-3-methyl-5-nitrobenzoate, it is essential to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a fume hood to avoid exposure. In case of a spill, clean up with appropriate absorbent materials and dispose of according to laboratory safety protocols. Refer to the Safety Data Sheet (SDS) for detailed guidance.

Safety Notice

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

Always follow proper handling procedures

Contact Information

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