CAS 1955-46-0

1-Methyl 5-nitro-1,3-benzenedicarboxylate

Description:

1-Methyl 5-nitro-1,3-benzenedicarboxylate, with the CAS number 1955-46-0, is an organic compound characterized by its aromatic structure and the presence of both methyl and nitro functional groups. This compound features a benzene ring substituted with two carboxylate groups and a nitro group, which contributes to its reactivity and potential applications in organic synthesis. The methyl group enhances its lipophilicity, while the nitro group can participate in various chemical reactions, including reduction and nucleophilic substitution. Typically, compounds of this nature are used in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals due to their ability to undergo further transformations. The presence of multiple functional groups also suggests that it may exhibit interesting physical properties, such as solubility in organic solvents and potential for hydrogen bonding. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive and may pose health risks. Overall, 1-Methyl 5-nitro-1,3-benzenedicarboxylate is a versatile compound with significant utility in chemical research and industry.

Formula: C₉H₇NO₆

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

InChI key: InChIKey=ZCRNIIJXDRYWDU-UHFFFAOYSA-N

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

Synonyms:

• 1,3-Benzenedicarboxylic acid, 5-nitro-, 1-methyl ester
• 1,3-Benzenedicarboxylic acid, 5-nitro-, monomethyl ester
• 1-Methyl 5-nitro-1,3-benzenedicarboxylate
• 3-(Methoxycarbonyl)-5-Nitrobenzoate
• 3-(Methoxycarbonyl)-5-Nitrobenzoic Acid
• 3-Carbomethoxy-5-nitrobenzoic acid
• 3-Nitro-5-(methoxycarbonyl)benzoic acid
• 5-Nitro Isophthalic Acid Monomethyl Ester
• 5-Nitro-1,3-benzenedicarboxylic acid methyl ester
• 5-Nitro-1,3-benzenedicarboxylic acid monomethyl ester
• 5-Nitro-3-(carbomethoxy)benzoic acid
• 5-Nitroisophthalic acid methyl ester
• 5-Nitroisophthalic acid monomethyl ester
• Isophthalic acid, 5-nitro-, methyl ester
• Isophthalic acid, 5-nitro-, monomethyl ester
• Methyl 3-carboxy-5-nitrobenzoate
• Methyl 5-Nitroisophthalate
• Methyl hydrogen 5-nitroisophthalate
• Monomethyl 5-nitrobenzene-1,3-dicarboxylate
• mono-Methyl 5-nitroisophthalate
• 5-Nirto-iso-phthalicacidmonomethylester
• MONOMETHYL 5-NITRO-ISO-PHTHALATE PESTANA L
• methyl 5-nitrohydrogen.isophthalate
• Monomethyl-5-Nitroisophathalate
• MONO-METHYL-5-NITROISOPHTHALIC ACID
• 5-Nitro-1,3-Benzenedi-Carboxylic Acid Monomethyl Ester
• 5-Nitroisophthalic Acid Methylester
• NITROISOPHTHALIC-5 ACID, MONOMETHYL ESTER
• 5-Nitroisophthalic
• 3-benzenedicarboxylicacid,5-nitro-monomethylester
• LABOTEST-BB LT00848268

Monomethyl 5-Nitroisophthalate

CAS: 1955-46-0

Formula: C₉H₇NO₆

Purity: >98.0%(GC)(T)

Color and Shape: White to Light yellow powder to crystal

Molecular weight: 225.16

Ref: 3B-N0641

1,​3-​Benzenedicarboxylic acid, 5-​nitro-​, 1-​methyl ester

CAS: 1955-46-0

Formula: C₉H₇NO₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 225.1550

Ref: IN-DA00I3E0

Methyl 5-Nitroisophthalate

CAS: 1955-46-0

Methyl 5-Nitroisophthalate

Purity: 98%+

Molecular weight: 225.15g/mol

Ref: 54-OR1013846

Monomethyl-5-nitroisophthalate

CAS: 1955-46-0

Formula: C₉H₇NO₆

Molecular weight: 225.16

Ref: 7W-GK2217

5-Nitroisophthalic acid monomethyl ester

CAS: 1955-46-0

5-Nitroisophthalic acid monomethyl ester (NIAE) is an acetylating agent that can be used for the preparation of 5-nitroisophthalic acid, which is a precursor to the synthesis of dyes and pharmaceuticals. The acetylation reaction of NIAE with proteins produces an insensitive material. Acetylation also inhibits the activity of serine proteases and virus replication. In addition, it has been found that the catalytic reduction of NIAE with palladium is faster than other synthetic methods. Optimal reaction conditions are obtained by adding chloride ions to the reaction mixture, while reductive conditions are optimal for catalysis. Reaction time can be shortened by using a soluble catalyst such as iodide ion or mercury(II) sulfate. The active site of NIAE contains a nitro group that reacts with substrates in the presence of oxygen, forming a product from which the acetyl group has been removed

Formula: C₉H₇NO₆

Purity: Min 98%

Color and Shape: Powder

Molecular weight: 225.16 g/mol

Ref: 3D-FN137812

Methyl 5-Nitroisophthalate

Controlled Product

CAS: 1955-46-0

Applications Methyl 5-nitroisophthalate is used in the preparation of heterotrifunctional crosslinkers for multiple bioconjugation with peptides and also in the synthesis of histone demethylase LSD1 inhibitors that target cancer cells.
References Wang, J. et al.: Cancer Res., 71, 7238 (2011); Viault, G. et al.: Org. Biomol. Chem., 11, 2693 (2013);

Formula: C₉H₇NO₆

Color and Shape: Neat

Molecular weight: 225.16

Ref: TR-M323770

3-(Methoxycarbonyl)-5-nitrobenzoic acid

CAS: 1955-46-0

Formula: C₉H₇NO₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 225.156

Ref: 10-F091855