4-Methoxy-1-naphthoic acid

Base Information

• Chemical Name: 4-Methoxy-1-naphthoic acid
• CAS No.: 13041-62-8
• Molecular Formula: C12H10O3
• Molecular Weight: 202.21
• Hs Code.: 2918990090
• European Community (EC) Number: 802-991-2
• DSSTox Substance ID: DTXSID30354169
• Nikkaji Number: J1.503.277D
• Wikidata: Q72517130
• Mol file: 13041-62-8.mol

Synonyms:4-methoxy-1-naphthoic acid;13041-62-8;4-methoxynaphthalene-1-carboxylic acid;4-Methoxy-naphthalene-1-carboxylic acid;1-Naphthalenecarboxylic acid, 4-methoxy-;MFCD02575372;4-methoxynaphthalene-1-carboxylate;1-Naphthalenecarboxylicacid, 4-methoxy-;4-methoxy-1-naphthoicacid;Oprea1_258144;Oprea1_360888;SCHEMBL4469856;DTXSID30354169;4-Methoxy-1-naphthoic acid 97%;4-Methoxy-1-naphthoic acid, 97%;STK365149;AKOS000300930;CS-W015513;FS-1886;4-Methoxy-1-naphthoic acid, AldrichCPR;AC-24377;SY046811;AM20020386;FT-0671289;M2763;EN300-13055;H11414;SR-01000312085;J-515620;SR-01000312085-1;Z89264983

Chemical Property of 4-Methoxy-1-naphthoic acid

Chemical Property:

• Vapor Pressure: 9.72E-07mmHg at 25°C
• Melting Point: 243-247℃
• Boiling Point: 388.7 °C at 760 mmHg
• Flash Point: 155.8 °C
• PSA: 49.36000
• LogP: 1.21190
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in DMSO and chloroform. Slightly soluble in water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.062994177
• Heavy Atom Count: 15
• Complexity: 239

Purity/Quality:

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

4-Methoxy-1-naphthoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36-22
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C2=CC=CC=C21)C(=O)O
• Uses: 4-methoxynaphthalene-1-carboxylate can be used in the preparation of α-aryl/pyridinyl ethanolamines as selective β3 adrenergic receptor agonists.

Technology Process of 4-Methoxy-1-naphthoic acid

There total 7 articles about 4-Methoxy-1-naphthoic acid 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: 29.0%

1-methoxy-4-trinitromethylnaphthalene (169178-80-7) → 1-methoxy-4-nitronaphthalene (4900-63-4) + 4-methoxy-1-naphthoic acid (13041-62-8)

Guidance literature:

With 1-Methoxynaphthalene; In dichloromethane; at 22 ℃; for 150h; Rate constant; Mechanism; various solvents, additives, reaction circumstances (irrad.); monitored by UV, NMR, FTIR and EPR spectroscopy;

DOI:10.3891/acta.chem.scand.50-0885

Reference yield: 12.0%

malonic acid (141-82-2) + 1-Methoxynaphthalene (2216-69-5) → 4-methoxy-1-naphthaldehyde (15971-29-6) + 4-methoxy-1-naphthoic acid (13041-62-8)

Guidance literature:

With manganese triacetate; In acetic acid; for 0.0166667h; Heating;

DOI:10.1246/bcsj.62.545

Reference yield: 9.0%

1-Methoxynaphthalene (2216-69-5) → 1-methoxy-4-nitronaphthalene (4900-63-4) + 2-nitro-1-methoxynaphthalene (4900-62-3) + 4-methoxy-1-naphthalenecarbonitrile (5961-55-7) + 4-methoxy-1-naphthoic acid (13041-62-8)

Guidance literature:

With tetranitromethane; In dichloromethane; at 25 ℃; for 16h; Yield given. Title compound not separated from byproducts; Irradiation;

upstream raw materials:

tetranitromethane

1-Methoxynaphthalene

malonic acid

1-methoxy-4-trinitromethylnaphthalene

Downstream raw materials:

methyl ester of 4-methoxy-1-naphthalenecarboxylic acid

3-(4-methoxynaphthalene-1-carbonyl)-1-[2-(morpholin-4-yl)ethyl]-1H-indole

Refernces

• 1、 Eberson, Lennart,Hartshorn, Michael P.,Radner,Svensson, Jan Olof. "Thermal and photochemical decomposition pathways of trinitromethylarenes. Part I. The conversion of ArC(NO2)3 to ArNO2 - A rationalization of apparent solvent effects". . p. 885 - 898. Retrieved 2007/10/03.
• 2、 Eberson, Lennart,Radner, Finn. "Light-initiated and thermal nitration reactions during photolysis of naphthalene/tetranitromethane or 1-methoxynaphthalene/tetranitromethane in dichloromethane". . p. 5825 - 5834. Retrieved 2007/10/02.