Methyl 5-nitro-2-(1-piperazinyl)benzoate | CAS No. 886360-73-2

Methyl 5-nitro-2-(1-piperazinyl)benzoate

Basic Information

CAS Number

886360-73-2

Molecular Formula

C12H15N3O4

Molecular Weight

265.26 g/mol

AD

Basic Physical Properties

Melting Point

113-115°

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCNCC2

InChI

InChI=1S/C12H15N3O4/c1-19-12(16)10-8-9(15(17)18)2-3-11(10)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3

InChIKey

PYZUYRBYEKFTPS-UHFFFAOYSA-N

LogP

1.70800

Complexity

338

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • AKOS005071087
  • methyl 5-nitro-2-piperazinobenzenecarboxylate
  • CS-0322090
  • 7W-0206
  • J-522504
  • methyl 5-nitro-2-(piperazin-1-yl)benzoate
  • Benzoic acid,5-nitro-2-(1-piperazinyl)-, methyl ester
  • 886360-73-2
  • 5-Nitro-2-piperazin-1-yl-benzoic acid methyl ester
  • MFCD03791233
  • FT-0680701
  • methyl 5-nitro-2-piperazin-1-ylbenzoate
  • Methyl 5-nitro-2-(piperazin-1-yl)benzoate
  • 5-NITRO-2-PIPERAZIN-1-YL-BENZOIC ACID METHYL ESTER
  • 5-NITRO-2-PIPERAZINOBENZENECARBOXYLIC ACID
  • Methyl 5-nitro-2-piperazinobenzenecarboxylate
  • 5-Nitro-2-piperazin-1-yl-benzoic acid

MDL Number

MFCD03791233

Customs Code

2933599090

FAQ

What are the physical and chemical properties of Methyl 5-nitro-2-(1-piperazinyl)benzoate (CAS: 886360-73-2)?

Methyl 5-nitro-2-(1-piperazinyl)benzoate (CAS: 886360-73-2) is a crystalline solid with a molecular weight of approximately 296.16 g/mol. It has a solubility of about 1.5 g/L in water and is slightly soluble in ethanol. The compound is moderately reactive towards acids and bases. It is stable under standard storage conditions but should be protected from moisture and light.

How is Methyl 5-nitro-2-(1-piperazinyl)benzoate (CAS: 886360-73-2) typically synthesized?

Methyl 5-nitro-2-(1-piperazinyl)benzoate is typically synthesized through a multi-step process involving the condensation of 2-nitrobenzoic acid with piperazine followed by methylation. Common solvents used include acetic anhydride, and the reaction is often catalyzed by concentrated sulfuric acid. The yield is generally around 70-80%, with high selectivity for the desired product.

What industries use Methyl 5-nitro-2-(1-piperazinyl)benzoate (CAS: 886360-73-2)?

Methyl 5-nitro-2-(1-piperazinyl)benzoate (CAS: 886360-73-2) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various medicinal compounds. It is also utilized in the development of sensors and materials for electronic applications.

What precautions should be taken when handling Methyl 5-nitro-2-(1-piperazinyl)benzoate (CAS: 886360-73-2)?

When handling Methyl 5-nitro-2-(1-piperazinyl)benzoate (CAS: 886360-73-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and chemical-resistant lab coats. The substance should be handled in a well-ventilated area, preferably under a fume hood. Spills should be immediately neutralized with an appropriate chemical neutralizer and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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