Methyl 2-methoxy-5-methylbenzoate

Base Information

• Chemical Name: Methyl 2-methoxy-5-methylbenzoate
• CAS No.: 63113-79-1
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• European Community (EC) Number: 624-964-2
• DSSTox Substance ID: DTXSID30437143
• Nikkaji Number: J2.343.744I
• Wikidata: Q82252526
• Mol file: 63113-79-1.mol

Synonyms:Methyl 2-methoxy-5-methylbenzoate;63113-79-1;2-Methoxy-5-methylbenzoic acid methyl ester;Methyl 2-methoxy-5-methyl-benzoate;SCHEMBL1505444;Methyl2-methoxy-5-methylbenzoate;DTXSID30437143;HRIFAUHCKFFZKB-UHFFFAOYSA-N;CL9710;MFCD06411343;AKOS005150440;AS-46464;Methyl 2-methoxy-5-methylbenzoate, 97%;CS-0013225;FT-0722570;METHYL 2-METHOXY-5-METHYLBENZOATE 97;A929799;Z98292761

Chemical Property of Methyl 2-methoxy-5-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.008mmHg at 25°C
• Refractive Index: n20/D 1.5310(lit.)
• Boiling Point: 124-131oC22 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 35.53000
• Density: 1.1281 g/mL at 25oC(lit.)
• LogP: 1.79020
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl 2-methoxy-5-methylbenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC)C(=O)OC

Technology Process of Methyl 2-methoxy-5-methylbenzoate

There total 17 articles about Methyl 2-methoxy-5-methylbenzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

5-Methylsalicylic acid (89-56-5) + methyl iodide (74-88-4) → methyl 2-methoxy-5-methylbenzoate (63113-79-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 12h;

Reference yield: 91.0%

5-Methylsalicylic acid (89-56-5) + dimethyl sulfate (77-78-1) → methyl 2-methoxy-5-methylbenzoate (63113-79-1)

Guidance literature:

With potassium carbonate; In acetone; for 6h; Heating;

DOI:10.1021/jm00012a004

Reference yield: 88.0%

→ methyl 2-methoxy-5-methylbenzoate (63113-79-1)

Guidance literature:

upstream raw materials:

methanol

2-methoxy-5-methylbenzoyl chloride

5-Methylsalicylic acid

methyl iodide

Downstream raw materials:

2-(2-Methoxy-5-methylphenacyl)pyridin

2-(2-hydroxy-5-methylphenyl)pyrazolo<1,5-a>pyridin

2-(2-Methoxy-5-methylphenyl)pyrazolo<1,5-a>pyridin

C₉H₁₂N₂O₂