366765

Methyl 2-methyl-3-nitrobenzoate

97%

• Synonym(s): Methyl 3-nitro-o-toluate
• Linear Formula: CH₃C₆H₃(NO₂)CO₂CH₃
• CAS Number: 59382-59-1
• Molecular Weight: 195.17
• Beilstein: 1964020
• MDL number: MFCD00082564
• UNSPSC Code: 12352100
• PubChem Substance ID: 24862702
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• form: solid
• mp: 62-65 °C (lit.)
• functional group: ester; nitro
• SMILES string: COC(=O)c1cccc(c1C)[N+]([O-])=O
• InChI: 1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3
• InChI key: CRZGFIMLHZTLGT-UHFFFAOYSA-N

Description

Application

Methyl 2-methyl-3-nitrobenzoate may be used in the synthesis of:

• methyl indole-4-carboxylate
• 5-aminoisoquinolin-1(2H)-one
• 5-nitroisocoumarin
• substituted nitrostyrene benzoic acids, via reaction with aromatic aldehydes in the presence of DBU in DMSO
• 4-(hydroxymethyl)-1-tosylindole, via Batcho-Leimgruber modification of the Reissert indole synthesis
• [2-(4-fluorophenyl)-1H-indol-4-yl]-1-pyrrolidinylmethanone

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves