Methyl 2-methyl-3-nitrobenzoate, 97%

Description

CAS: 59382-59-1 | C9H9NO4 | 195.17 g/mol

Methyl 2-methyl-3-nitrobenzoate may be used in the synthesis of methyl indole-4-carboxylate, 5-aminoisoquinolin-1(2H)-one, 5-nitroisocoumarin and [2-(4-fluorophenyl)-1H-indol-4-yl]-1-pyrrolidinylmethanone. It may also be used in the preparation of substituted nitrostyrene benzoic acids, via reaction with aromatic aldehydes in the presence of DBU in DMSO; and 4-(hydroxymethyl)-1-tosylindole, via Batcho-Leimgruber modification of the Reissert indole synthesis.

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 Scientific Chemicals.

Applications
Methyl 2-methyl-3-nitrobenzoate may be used in the synthesis of methyl indole-4-carboxylate, 5-aminoisoquinolin-1(2H)-one, 5-nitroisocoumarin and [2-(4-fluorophenyl)-1H-indol-4-yl]-1-pyrrolidinylmethanone. It may also be used in the preparation of substituted nitrostyrene benzoic acids, via reaction with aromatic aldehydes in the presence of DBU in DMSO; and 4-(hydroxymethyl)-1-tosylindole, via Batcho-Leimgruber modification of the Reissert indole synthesis.

Solubility
Soluble in methanol.

Notes
Stable under recommended storage conditions. Incompatible with oxidizing agents and heat.

Specifications

Chemical Identifiers

• CAS: 59382-59-1
• Molecular Formula: C9H9NO4
• Molecular Weight (g/mol): 195.17
• MDL Number: MFCD00082564
• InChI Key: CRZGFIMLHZTLGT-UHFFFAOYSA-N
• Synonym: benzoic acid, 2-methyl-3-nitro-, methyl ester, methyl 3-nitro-o-toluate, 2-methyl-3-nitrobenzoic acid methyl ester, methyl 3-nitro-2-methylbenzoate, 3-nitro-o-toluic acid methyl ester, 2-methyl-3-nitromethylbenzoate, pubchem10933, acmc-1awh8, ksc495s1j, methyl2-methyl-3-nitrobenzoate
• PubChem CID: 601165
• IUPAC Name: methyl 2-methyl-3-nitrobenzoate
• SMILES: COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O

• Melting Point: 62°C to 65°C
• Quantity: 25 g
• Beilstein: 1964020
• Solubility Information: Soluble in methanol.
• Formula Weight: 195.17
• Percent Purity: 97%
• Chemical Name or Material: Methyl 2-methyl-3-nitrobenzoate

Safety and Handling

TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only