Methyl 4-amino-5-bromo-2-fluorobenzoate | CAS No. 1427372-46-0

Methyl 4-amino-5-bromo-2-fluorobenzoate

Basic Information

CAS Number

1427372-46-0

Molecular Formula

C8H7BrFNO2

Molecular Weight

248.05 g/mol

AD

Basic Physical Properties

COC(=O)c1cc(c(cc1F)N)Br

InChI

InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3H,11H2,1H3

InChIKey

JOCYKKRVIIGZJH-UHFFFAOYSA-N

LogP

1.9569999999999999

Topological Polar Surface Area

52.32 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

203

Synonyms & References

English

  • 4-Amino-5-bromo-2-fluoro-benzoic acid methyl ester
  • methyl 4-amino-5-bromo-2-fluorobenzoate
  • COC(C1=C(C=C(C(=C1)Br)N)F)=O

MDL Number

MFCD23707475

FAQ

What are the physical and chemical properties of Methyl 4-amino-5-bromo-2-fluorobenzoate (CAS: 1427372-46-0)?

Methyl 4-amino-5-bromo-2-fluorobenzoate (CAS: 1427372-46-0) is a white crystalline solid with a molecular weight of approximately 299.03 g/mol. It has a low solubility in water but is more soluble in organic solvents such as methanol and ethanol. This compound is known for its reactivity, particularly towards nucleophilic aromatic substitution reactions. It is slightly acidic and can undergo condensation reactions under certain conditions.

How is Methyl 4-amino-5-bromo-2-fluorobenzoate (CAS: 1427372-46-0) typically synthesized?

Methyl 4-amino-5-bromo-2-fluorobenzoate can be synthesized through a multi-step process involving bromination and fluorination of a precursor compound. Commonly, a benzoic acid derivative is brominated first, followed by the introduction of the amino group and fluorination. The reaction is typically carried out under mild conditions using appropriate catalysts to achieve high yield and selectivity. This process requires careful handling of bromine and fluorine sources.

What industries use Methyl 4-amino-5-bromo-2-fluorobenzoate (CAS: 1427372-46-0)?

Methyl 4-amino-5-bromo-2-fluorobenzoate (CAS: 1427372-46-0) finds applications in the pharmaceutical industry, particularly in the synthesis of complex organic molecules. It is also used in the polymer industry for the development of advanced materials and in the field of analytical chemistry as a precursor for sensors and semiconductors. Its unique properties make it valuable in research and development contexts.

What precautions should be taken when handling Methyl 4-amino-5-bromo-2-fluorobenzoate (CAS: 1427372-46-0)?

Careful handling is essential when working with Methyl 4-amino-5-bromo-2-fluorobenzoate (CAS: 1427372-46-0). Always wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. Work in a well-ventilated area or under a fume hood due to its reactivity and potential for release of bromine and fluorine vapors. Ensure proper storage and disposal according to safety data sheet (SDS) guidelines to prevent environmental contamination and ensure laboratory safety.

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