370215

Methyl 3,5-dimethylbenzoate

98%

• Linear Formula: (CH₃)₂C₆H₃CO₂CH₃
• CAS Number: 25081-39-4
• Molecular Weight: 164.20
• MDL number: MFCD00077971
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863065
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 98%
• form: solid
• bp: 239-240 °C (lit.)
• mp: 31-33 °C (lit.)
• density: 1.027 g/mL at 25 °C (lit.)
• functional group: ester
• SMILES string: COC(=O)c1cc(C)cc(C)c1
• InChI: 1S/C10H12O2/c1-7-4-8(2)6-9(5-7)10(11)12-3/h4-6H,1-3H3
• InChI key: PEVXENGLERTHJE-UHFFFAOYSA-N

Description

General description

Methyl 3,5-dimethylbenzoate is an aromatic carboxylic acid ester. It was selected as ligand during monomer screening for the synthesis and investigation of various europium compounds containing pinacolyl methylphosphonate with different ligands. Methyl 3,5-dimethylbenzoate is reported as precursor of methyl-3,5-divinylbenzoate.

Application

Methyl 3,5-dimethylbenzoate may be used in the preparation of four carbon isostere related to highly active 4-pyridinemethanols, which were subsequently evaluated for their antimalarial activity. It may be used in the total synthesis of (±)-indoxamycin B.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): 224.6 °F - closed cup
• Flash Point(C): 107.00 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves