1-Naphthoic acid

Base Information

• Chemical Name: 1-Naphthoic acid
• CAS No.: 86-55-5
• Molecular Formula: C11H8O2
• Molecular Weight: 172.183
• Hs Code.: H7COOH MOL WT. 172.18
• European Community (EC) Number: 201-681-9
• NSC Number: 37569
• UNII: 2NIV4O66BH
• DSSTox Substance ID: DTXSID50861668
• Nikkaji Number: J10.616J
• Wikipedia: 1-Naphthoic_acid
• Wikidata: Q21050984
• Metabolomics Workbench ID: 52154
• ChEMBL ID: CHEMBL1160
• Mol file: 86-55-5.mol

Synonyms:1-naphthoic acid;1-naphthoic acid, calcium salt;1-naphthoic acid, sodium salt;naphthoic acid

Chemical Property of 1-Naphthoic acid

Chemical Property:

• Appearance/Colour: off-white to beige powder
• Vapor Pressure: 0.000513mmHg at 25°C
• Melting Point: 157-160 °C(lit.)
• Refractive Index: 1.4600 (estimate)
• Boiling Point: 300 °C at 760 mmHg
• PKA: 3.7(at 25℃)
• Flash Point: 164.6 °C
• PSA: 37.30000
• Density: 1.265 g/cm³
• LogP: 2.53800
• Storage Temp.: Store below +30°C.
• Solubility.: Solubility Slightly soluble in hot water; freely soluble in hot
• Water Solubility.: Freely soluble in hot alcohol and ether. Slightly soluble in hot water.
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.052429494
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

1-NaphthalenecarboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Naphthoic Acids
• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)O
• Uses: 1-Naphthoic acid is used as an intermediate for the synthesis of pharmaceuticals, photochemicals, plant growth hormones, dyes and other organic compounds.

Technology Process of 1-Naphthoic acid

There total 283 articles about 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: 92.0%

1-(4-methoxyphenyl)-2-(naphthalen-1-yl)ethan-1-one (76580-08-0) → 1-naphthalenecarboxylic acid (86-55-5) + 4-methoxybenzoic acid (100-09-4)

Guidance literature:

With oxygen; potassium hydroxide; at 20 ℃; chemoselective reaction; Schlenk technique;

DOI:10.1021/acs.joc.5b02506

Reference yield: 25.0%

C21H23NO2Si → 1-naphthalenecarboxylic acid (86-55-5) + aniline (62-53-3)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; Ambient temperature;

DOI:10.1039/c39880001530

Reference yield:

p-nitrophenyl 1-naphthoate (65426-83-7) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 1-naphthalenecarboxylic acid (86-55-5)

Guidance literature:

With erythromycin A-hydrolyse prod.; water; In 1,4-dioxane; at 20 ℃; Rate constant; pH 12.052;

upstream raw materials:

1'-naphthacetophenone

n-butyllithium

naphthalene

diethyl ether

Downstream raw materials:

ethyl 1-naphthoate

1-benzoylnaphthalene

8-sulfo-1-naphthoic anhydride

n-Pentyl-1-naphthoat

Refernces

• 1、 Wright. "". . p. 859,861. Retrieved 1940.
• 2、 -. "Method for synthesizing 1-naphthoic acid from naphthalene and carbon dioxide". Paragraph 0012; 0014-0027. . Retrieved 2021/04/17.
• 3、 Lee, Kang Min,Choi, Myung Gil,Yoo, Jae Hoon,Ahn, Sangdoo,Chang, Suk-Kyu. "Fluorometric analysis of chlorite via oxidation of 9-anthracenecarboxaldehyde". . . Retrieved 2021/05/03.