1-Ethoxynaphthalene-2-carboxylic acid

Base Information

• Chemical Name: 1-Ethoxynaphthalene-2-carboxylic acid
• CAS No.: 54245-30-6
• Molecular Formula: C13H12O3
• Molecular Weight: 216.23258
• DSSTox Substance ID: DTXSID30704746
• Nikkaji Number: J2.554.862K
• Wikidata: Q82637272
• Mol file: 54245-30-6.mol

Synonyms:1-Ethoxynaphthalene-2-carboxylic acid;54245-30-6;1-Ethoxy-2-naphthoic acid;SCHEMBL8817410;DTXSID30704746;AKOS009076137;1-ethoxy-2-naphthalene carboxylic acid;FT-0739089

Chemical Property of 1-Ethoxynaphthalene-2-carboxylic acid

Chemical Property:

• PSA: 46.53000
• LogP: 2.93670
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 216.078644241
• Heavy Atom Count: 16
• Complexity: 252

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=C(C=CC2=CC=CC=C21)C(=O)O

Technology Process of 1-Ethoxynaphthalene-2-carboxylic acid

There total 3 articles about 1-Ethoxynaphthalene-2-carboxylic 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:

1-bromo-2-naphthalenyl-2-carbonitrile (20176-08-3) → 1-Hydroxy-2-naphthalincarbonsaeureethylester (54245-30-6)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂SO₄ / aq. acetic acid

2: Cu, Na, 1-phenyl-butane-1,3-dione

With sulfuric acid; sodium; copper; 1-phenylbutan-1,3-dione; In acetic acid;

Reference yield:

ethanol (64-17-5) + 1-bromo-2-naphthoic acid (20717-79-7) → 1-Hydroxy-2-naphthalincarbonsaeureethylester (54245-30-6)

Guidance literature:

With sodium; copper; 1-phenylbutan-1,3-dione;

Reference yield:

ethanol (64-17-5) + 1-hydroxy-2-naphthoic acid (86-48-6) → 1-Hydroxy-2-naphthalincarbonsaeureethylester (54245-30-6)

Guidance literature:

With acid; Yield given;

upstream raw materials:

ethanol

1-bromo-2-naphthoic acid

1-hydroxy-2-naphthoic acid

1-bromo-2-naphthalenyl-2-carbonitrile

Refernces