Methyl 3-methoxy-2-naphthoate

Base Information

• Chemical Name: Methyl 3-methoxy-2-naphthoate
• CAS No.: 13041-60-6
• Molecular Formula: C13H12 O3
• Molecular Weight: 216.236
• Hs Code.: 2918990090
• European Community (EC) Number: 621-448-9
• NSC Number: 167526
• DSSTox Substance ID: DTXSID00304838
• Nikkaji Number: J1.103.560D
• Wikidata: Q82051093
• Mol file: 13041-60-6.mol

Synonyms:Methyl 3-methoxy-2-naphthoate;13041-60-6;methyl 3-methoxynaphthalene-2-carboxylate;3-Methoxy-2-naphthoic Acid Methyl Ester;methyl-3-methoxy-2-naphthoat;NSC167526;2-Naphthalenecarboxylic acid, 3-methoxy-, methyl ester;SCHEMBL620668;methyl 2-methoxy-3-naphthoate;methyl 3-methoxyl-2-naphthoate;methyl 3- methoxy-2-naphthoate;DTXSID00304838;MFCD00454253;AKOS003242100;Methyl 3-methoxy-2-naphthoate, 98%;NSC-167526;AS-69573;CS-0150554;FT-0732345;M1462;10.14272/MPLSAOVNAXJHHI-UHFFFAOYSA-N;D91508;doi:10.14272/MPLSAOVNAXJHHI-UHFFFAOYSA-N;3-methoxy-2-naphthalenecarboxylic acid methyl ester;J-005806

Chemical Property of Methyl 3-methoxy-2-naphthoate

Chemical Property:

• Vapor Pressure: 4.69E-05mmHg at 25°C
• Melting Point: 48-51 °C(lit.)
• Boiling Point: 217 °C / 30mmHg
• Flash Point: >230 °F
• PSA: 35.53000
• Density: 1.166g/cm³
• LogP: 2.63500
• Storage Temp.: Room temperature.
• Solubility.: soluble in Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methyl 3-Methoxy-2-naphthoate ^*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: COC1=CC2=CC=CC=C2C=C1C(=O)OC

Technology Process of Methyl 3-methoxy-2-naphthoate

There total 2 articles about Methyl 3-methoxy-2-naphthoate 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:

3-Hydroxy-2-naphthoic acid (92-70-6) + methyl iodide (74-88-4) → 3-methoxy-2-naphthoic acid (883-62-5) + methyl 3-methoxy-2-naphthoate (13041-60-6)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide;

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-Methoxynaphthalene (93-04-9) + carbon dioxide (124-38-9,18923-20-1) → methyl 3-methoxy-2-naphthoate (13041-60-6) + methyl ester of 2-methoxy-1-naphthalenecarboxylic acid (13343-92-5)

Guidance literature:

2-Methoxynaphthalene; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃;

carbon dioxide; In tetrahydrofuran; hexane; at 25 ℃;

diazomethane; In diethyl ether; regioselective reaction;

DOI:10.1055/S-0029-1218737

Reference yield: 96.4%

methyl 3-methoxy-2-naphthoate (13041-60-6) → 3-methoxy-2-naphthoic acid (883-62-5)

Guidance literature:

With sodium hydroxide; In methanol; water; at 40 ℃; for 2.5h;

upstream raw materials:

3-Hydroxy-2-naphthoic acid

methyl iodide

diazomethane

2-Methoxynaphthalene

Downstream raw materials:

1-(3-methoxy-[2]naphthyl)-3-(2-methoxy-phenyl)-propane-1,3-dione

3-methoxy-2-naphthoic acid

1-(3-methoxy-[2]naphthyl)-butane-1,3-dione

1-(3-methoxy-[2]naphthyl)-3-phenyl-propane-1,3-dione

Refernces

• 1、 -. "Tetrazoles bonded to certain polycyclic aromatic systems and anti-allergic use thereof". . . Retrieved 2008/06/13.