CAS 57113-91-4

Benzoic acid, 2-amino-3-nitro-, methyl ester

Description:

Benzoic acid, 2-amino-3-nitro-, methyl ester, also known by its CAS number 57113-91-4, is an organic compound characterized by the presence of a benzoic acid moiety with an amino group and a nitro group at the 2 and 3 positions, respectively, and a methyl ester functional group. This compound typically appears as a solid or crystalline substance and is soluble in organic solvents. Its molecular structure includes a benzene ring, which contributes to its aromatic properties, and the presence of both amino and nitro groups introduces polar characteristics, influencing its reactivity and interaction with other substances. The methyl ester group enhances its lipophilicity, making it more soluble in non-polar solvents. Benzoic acid derivatives, including this compound, are often studied for their potential applications in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. Additionally, the presence of the amino and nitro groups can impart unique biological activities, making it of interest in medicinal chemistry. Safety and handling precautions should be observed, as with many chemical substances, due to potential toxicity or reactivity.

Formula: C₈H₈N₂O₄

InChI: InChI=1S/C8H8N2O4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,9H2,1H3

InChI key: InChIKey=HDCLJQZLTMJECA-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(N)C(N(=O)=O)=CC=C1

Synonyms:

• 2-Amino-3-nitro-benzoic acid methyl ester
• 2-Amino-3-nitrobenzoic acid methyl ester
• Anthranilic acid, 3-nitro-, methyl ester
• Benzoic acid, 2-amino-3-nitro-, methyl ester
• Methyl 3-nitroanthranilate
• Methyl 2-Amino-3-nitrobenzoate

Methyl 2-Amino-3-nitrobenzoate

CAS: 57113-91-4

Formula: C₈H₈N₂O₄

Purity: >98.0%(GC)

Color and Shape: Light orange to Yellow to Green powder to crystal

Molecular weight: 196.16

Ref: 3B-M2158

Methyl 2-amino-3-nitrobenzoate

CAS: 57113-91-4

Formula: C₈H₈N₂O₄

Purity: %

Color and Shape: Solid

Molecular weight: 196.1601

Ref: IN-DA00355Q

Methyl 2-amino-3-nitrobenzoate

CAS: 57113-91-4

Methyl 2-amino-3-nitrobenzoate

Formula: C₈H₈N₂O₄

Purity: 95%

Color and Shape: yellow solid

Molecular weight: 196.16g/mol

Ref: 54-OR8159

2-Amino-3-nitrobenzoic acid methyl ester

CAS: 57113-91-4

Formula: C₈H₈N₂O₄

Purity: 98%

Color and Shape: Solid, Yellow powder

Molecular weight: 196.162

Ref: 10-F008931

Methyl 2-Amino-3-nitrobenzoate

Controlled Product

CAS: 57113-91-4

Applications An intermediate in the preparation of Candesartan.
References Nagai, U., et al.: Chem. Pharm. Bull., 23, 1841 (1975), White, A., et al.: J. Med. Chem., 43, 4084 (2000), Frohn, M., et al.: Bioorg. Med. Chem. Lett., 18, 5023 (2008),

Formula: C₈H₈N₂O₄

Color and Shape: Neat

Molecular weight: 196.16

Ref: TR-M286920

Methyl 2-amino-3-nitrobenzoate

CAS: 57113-91-4

Formula: C₈H₈N₂O₄

Molecular weight: 196.16

Ref: ST-EA-CP-C50061