CAS 5081-42-5

Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester

Description:

Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester, with the CAS number 5081-42-5, is an organic compound characterized by its aromatic structure and functional groups. It features a benzoic acid core substituted with three methoxy groups (-OCH3) at the 3, 4, and 5 positions, and a nitro group (-NO2) at the 2 position, along with a methyl ester (-COOCH3) functional group. This compound is typically a solid at room temperature and is soluble in organic solvents due to its hydrophobic aromatic structure, while its polar functional groups can impart some degree of solubility in polar solvents. The presence of the nitro group suggests potential reactivity, particularly in electrophilic substitution reactions. Additionally, the methoxy groups can influence the compound's electronic properties, potentially affecting its reactivity and interactions in various chemical environments. This compound may have applications in organic synthesis, pharmaceuticals, or as an intermediate in the production of other chemical entities.

Formula: C₁₁H₁₃NO₇

InChI: InChI=1S/C11H13NO7/c1-16-7-5-6(11(13)19-4)8(12(14)15)10(18-3)9(7)17-2/h5H,1-4H3

InChI key: InChIKey=HCEIEWYPDCDNNU-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(OC)C(OC)=C(OC)C=C1C(OC)=O

Synonyms:

• 2-Nitro-3,4,5-trimethoxybenzoic acid methyl ester
• 3,4,5-Trimethoxy-2-nitro-benzoic acid methyl ester
• 3,4,5-Trimethoxy-2-nitrobenzoic acid methyl ester
• Benzoic acid, 3,4,5-trimethoxy-2-nitro-, methyl ester
• Methyl 3,4,5-Trimethoxy-2-Nitrobenzoate
• NSC 20282
• Methyl 2-nitro-3,4,5-trimethoxybenzoate

Methyl 2-nitro-3,4,5-trimethoxybenzoate, 98%

CAS: 5081-42-5

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₁H₁₃NO₇

Purity: 98%

Color and Shape: White to cream or pale yellow, Crystals or crystalline powder or powder

Molecular weight: 271.23

Ref: 02-L06188

Methyl 2-nitro-3,4,5-trimethoxybenzoate

CAS: 5081-42-5

Formula: C₁₁H₁₃NO₇

Purity: 95%

Color and Shape: Solid

Molecular weight: 271.2234

Ref: IN-DA003ROW

2-Nitro-3,4,5-trimethoxybenzoic acid methyl ester

CAS: 5081-42-5

2-Nitro-3,4,5-trimethoxybenzoic acid methyl ester is a potential anticancer agent. It has been shown to inhibit the growth of cancer cells in vitro and demonstrates anticancer activity against human tumor xenografts in mice. This compound binds to the epidermal growth factor receptor (EGFR) and inhibits its activity. This binding causes downstream signalling pathways to be suppressed, which ultimately prevents tumor cells from proliferating. 2-Nitro-3,4,5-trimethoxybenzoic acid methyl ester also has directional properties that may allow for selective targeting of cancerous cells.
2-Nitro-3,4,5-trimethoxybenzoic acid methyl ester is a white crystalline powder with an orthorhombic crystal system and an amine group on each end of the molecule.

Formula: C₁₁H₁₃NO₇

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 271.22 g/mol

Ref: 3D-FN54878

Methyl 3,4,5-trimethoxy-2-nitrobenzoate

CAS: 5081-42-5

Formula: C₁₁H₁₃NO₇

Purity: 98.0%

Color and Shape: Solid

Molecular weight: 271.225

Ref: 10-F430074