CAS 21606-04-2

1-Methyl 3-nitro-1,2-benzenedicarboxylate

Description:

1-Methyl 3-nitro-1,2-benzenedicarboxylate, with the CAS number 21606-04-2, is an organic compound characterized by its aromatic structure and the presence of both nitro and carboxylate functional groups. This compound features a methyl group and a nitro group attached to a benzene ring that also contains two carboxylate groups in the 1 and 2 positions. The nitro group is known for its electron-withdrawing properties, which can influence the reactivity and stability of the compound. Typically, such compounds exhibit moderate solubility in organic solvents and may have limited solubility in water due to their hydrophobic aromatic structure. The presence of multiple functional groups suggests potential applications in organic synthesis, particularly in the development of pharmaceuticals or agrochemicals. Additionally, the compound's reactivity can be influenced by the positions of the substituents on the benzene ring, making it a subject of interest in studies related to electrophilic aromatic substitution reactions. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive and potentially hazardous.

Formula: C₉H₇NO₆

InChI: InChI=1S/C9H7NO6/c1-16-9(13)5-3-2-4-6(10(14)15)7(5)8(11)12/h2-4H,1H3,(H,11,12)

InChI key: InChIKey=DJMQLZPEBHSABD-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C(OC)=O)C=CC=C1N(=O)=O

Synonyms:

• 1-Methyl 3-nitro-1,2-benzenedicarboxylate
• 1-Methyl-3-nitrophthalate
• 2-(Methoxycarbonyl)-6-Nitrobenzoic Acid
• 3-Nitro-1,2-Benzenedi-Carboxylic Acid Monomethyl Ester
• 3-nitro-2-Carboxyl methyl benzoate
• Methyl 3-Nitro-2-Carboxyl Benzoate
• Methyl-2-Carboxy-3-Nitrobenzoate
• Phthalic acid, 3-nitro-, 1-methyl ester
• 1,2-Benzenedicarboxylic acid, 3-nitro-, 1-methyl ester

2-(Methoxycarbonyl)-6-nitrobenzoic Acid

CAS: 21606-04-2

Formula: C₉H₇NO₆

Purity: >98.0%(GC)(T)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 225.16

Ref: 3B-M2795

2-(Methoxycarbonyl)-6-nitrobenzoic acid

CAS: 21606-04-2

Formula: C₉H₇NO₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 225.1550

Ref: IN-DA003JSI

2-(Methoxycarbonyl)-6-nitrobenzoic acid

CAS: 21606-04-2

2-(Methoxycarbonyl)-6-nitrobenzoic acid

Purity: 98%

Molecular weight: 225.15g/mol

Ref: 54-OR79284

Methyl 3-Nitrophthalate

Controlled Product

CAS: 21606-04-2

Applications Methyl 3-Nitrophthalate is an intermediate in the synthesis of (αS)-3-Ethoxy-4-methoxy-α-[(methylsulfonyl)methyl]-N-[(1S)-1-phenylethyl]-benzenemethanamine which is an impurity of Apremilast (A729700), which is an oral phosphodiesterase 4 inhibitor used for treating psoriatic arthritis.
References Gan, E. et al.: BioDrugs, 27, 359 (2013); Pathan, E. et al.: Annal. Rheum. DIs., 72, 1475 (2013)

Formula: C₁₃H₁₈N₆O₃

Color and Shape: Neat

Molecular weight: 306.32

Ref: TR-M323773

2-(Methoxycarbonyl)-6-nitrobenzoic acid

CAS: 21606-04-2

Formula: C₉H₇NO₆

Purity: 95%

Color and Shape: Solid

Molecular weight: 225.156

Ref: 10-F225718