Methyl 3-methoxy-5-methylbenzoate

Base Information

• Chemical Name: Methyl 3-methoxy-5-methylbenzoate
• CAS No.: 108593-44-8
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70550749
• Nikkaji Number: J2.373.035I
• Wikidata: Q82430181
• Mol file: 108593-44-8.mol

Synonyms:Methyl 3-methoxy-5-methylbenzoate;108593-44-8;3-Methoxy-5-methyl-benzoic acid methyl ester;Methyl3-methoxy-5-methylbenzoate;methyl 5-methoxy-3-methylbenzoate;MFCD09833214;Benzoic acid, 3-methoxy-5-methyl-, methyl ester;methyl 3-methoxy-5-methyl-benzoate;3-Methoxy-5-methyl- benzoic acid methyl ester;SCHEMBL988746;DTXSID70550749;Methyl-3-methoxy-5-methyl benzoate;AKOS006328084;AC-5449;MB07769;Methyl 3-methyl-5-(methyloxy)benzoate;AM802910;SY104969;TS-02518;CS-0195917;methyl 3-methoxy-5-methylbenzoate;3-methoxy-5-methyl-benzoic acid methyl ester

Chemical Property of Methyl 3-methoxy-5-methylbenzoate

Chemical Property:

• Boiling Point: 270.8±20.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.075±0.06 g/cm3(Predicted)
• LogP: 1.79020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• 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

Methyl3-Methoxy-5-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 3-methoxy-5-methylbenzoate

There total 7 articles about Methyl 3-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: 100.0%

methyl iodide (74-88-4) → methyl 3-methoxy-5-methylbenzoate (108593-44-8)

Guidance literature:

3-hydroxy-5-methyl-benzoic acid methyl ester; With sodium hydride; In N,N-dimethyl-formamide;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

Reference yield: 97.0%

3-hydroxy-5-methylbenzoic acid (585-81-9) + methyl iodide (74-88-4) → methyl 3-methoxy-5-methylbenzoate (108593-44-8)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

DOI:10.1016/j.tetlet.2009.04.079

Reference yield: 92.0%

3-hydroxy-5-methyl-benzoic acid methyl ester (2615-71-6) + methyl iodide (74-88-4) → methyl 3-methoxy-5-methylbenzoate (108593-44-8)

Guidance literature:

With caesium carbonate; dmap; In N,N-dimethyl-formamide; at 20 ℃;

upstream raw materials:

methanol

3-methoxy-5-methylbenzoic acid

4-methoxy-6-methyl-2H-pyran-2-one

propynoic acid methyl ester

Refernces

• 1、 Abdelgawad, M. A.,Al-Sanea, M. M.,Al-Warhi, T. I. M.,Bakr, R. B.,Elshemy, H. A. H.,Elsherif, H. A. M.,Gamal, M.,Parambi, D. G. T.,Shaker, M. E.. "Design, Synthesis, and In Vitro Cytotoxic Activity of Certain 2-[3-Phenyl-4-(pyrimidin-4-yl)-1H-pyrazol1-yl]acetamide Derivatives". . p. 514 - 520. Retrieved 2020/05/06.
• 2、 El-Deeb, Ibrahim Mustafa,Lee, So Ha. "Design and synthesis of new potent anticancer pyrazoles with high FLT3 kinase inhibitory selectivity". scheme or table. p. 3961 - 3973. Retrieved 2010/08/06.