Methyl 3-methoxy-4-methylbenzoate

Base Information

• Chemical Name: Methyl 3-methoxy-4-methylbenzoate
• CAS No.: 3556-83-0
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29189900
• European Community (EC) Number: 609-142-3
• DSSTox Substance ID: DTXSID30343639
• Nikkaji Number: J1.199.144K
• Wikidata: Q82115055
• Mol file: 3556-83-0.mol

Synonyms:Methyl 3-methoxy-4-methylbenzoate;3556-83-0;3-Methoxy-4-methylbenzoic Acid Methyl Ester;Benzoic acid, 3-methoxy-4-methyl-, methyl ester;MFCD00082710;3-methoxy-4-methyl-benzoic acid methyl ester;Methyl 3-Methoxy-p-toluate;Methyl3-Methoxy-4-methylbenzoate;4-Methyl-m-anisic Acid Methyl Ester;Methyl 4-Methyl-m-anisate;SCHEMBL1757167;DTXSID30343639;methyl 3-methoxy-4-methyl-benzoate;3-Methoxy-p-toluic Acid Methyl Ester;AKOS009039656;methyl 4-methyl-3-(methyloxy)benzoate;AB03124;CS-W010754;NF-0026;Methyl 3-methoxy-4-methylbenzoate, 96%;SY021136;AM20040268;FT-0616018;M1427;Benzoic acid, 4-methyl-3-methoxy, methyl ester;J-522192

Chemical Property of Methyl 3-methoxy-4-methylbenzoate

Chemical Property:

• Appearance/Colour: WHITE SOLID OR COLORLESS LIQUID
• Vapor Pressure: 0.00723mmHg at 25°C
• Melting Point: 50-54 °C(lit.)
• Refractive Index: 1.5295
• Boiling Point: 257.4 °C at 760 mmHg
• Flash Point: 101.8 °C
• PSA: 35.53000
• Density: 1.075 g/cm³
• LogP: 1.79020
• XLogP3: 2.6
• 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:

99% ^*data from raw suppliers

Methyl 3-Methoxy-4-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)OC)OC
• Uses: Methyl 3-Methoxy-4-methylbenzoate has been used as a reactant in the preparation of an antimalaria drug that consists of the 4-aminoquinoline pharmacophore of chloroquine with clotrimazole-based antimalarials.

Technology Process of Methyl 3-methoxy-4-methylbenzoate

There total 16 articles about Methyl 3-methoxy-4-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: 98.0%

3-methoxy-p-toluic acid (7151-68-0) + acetyl chloride (75-36-5) → methyl 4-methyl-3-methoxybenzoate (3556-83-0)

Guidance literature:

In methanol;

Reference yield: 98.0%

methanol (67-56-1) + 3-methoxy-p-toluic acid (7151-68-0) → methyl 4-methyl-3-methoxybenzoate (3556-83-0)

Guidance literature:

With acetyl chloride; for 36h;

DOI:10.1021/jm00168a036

Reference yield: 91.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3-methoxy-p-toluic acid (7151-68-0) → methyl 4-methyl-3-methoxybenzoate (3556-83-0)

Guidance literature:

With acetic acid; In diethyl ether;

DOI:10.1248/cpb.38.1852

upstream raw materials:

3-hydroxy-4-methylbenzoic acid

methyl iodide

diazomethane

3-methoxy-p-toluic acid

Downstream raw materials:

ethyl 3-methoxy-4-methylbenzoate

4-(chloromethyl)-2-methoxy-1-methylbenzene

(+/-)-faveline methyl ether

methyl 4-(bromomethyl)-3-methoxybenzoate

Refernces

• 1、 -. "CHROMONE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE". Page/Page column 44. . Retrieved 2011/09/15.
• 2、 -. "PROCESSES FOR PREPARING ZAFIRLUKAST". Page/Page column 8. . Retrieved 2009/06/27.