Ethyl 4-hydroxy-2-naphthoate

Base Information

• Chemical Name: Ethyl 4-hydroxy-2-naphthoate
• CAS No.: 91307-39-0
• Molecular Formula: C13H12 O3
• Molecular Weight: 216.236
• DSSTox Substance ID: DTXSID90517571
• Nikkaji Number: J443.370J
• Wikidata: Q82379672
• Mol file: 91307-39-0.mol

Synonyms:ETHYL 4-HYDROXY-2-NAPHTHOATE;91307-39-0;ETHYL 4-HYDROXYNAPHTHALENE-2-CARBOXYLATE;ethyl4-hydroxy-2-naphthoate;ethyl 4-hydroxy-naphthalene-2-carboxylate;SCHEMBL163865;2-Naphthalenecarboxylic acid, 4-hydroxy-, ethyl ester;DTXSID90517571;QMCMRBCASLXWFT-UHFFFAOYSA-N;CS-B0121;D77204;2-Naphthalenecarboxylicacid,4-hydroxy-,ethyl ester;4-hydroxynaphthalene-2-carboxylic acid ethyl ester

Chemical Property of Ethyl 4-hydroxy-2-naphthoate

Chemical Property:

• Vapor Pressure: 5.04E-07mmHg at 25°C
• Melting Point: 139-141 °C
• Boiling Point: 401.6°C at 760 mmHg
• PKA: 8.63±0.40(Predicted)
• Flash Point: 176.7°C
• PSA: 46.53000
• Density: 1.225g/cm³
• LogP: 2.72210
• XLogP3: 2.5
• 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

Ethyl4-hydroxy-2-naphthoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC2=CC=CC=C2C(=C1)O

Technology Process of Ethyl 4-hydroxy-2-naphthoate

There total 11 articles about Ethyl 4-hydroxy-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: 90.0%

ethyl 4-acetoxynaphthalene-2-carboxylate (33295-46-4) → ethyl 1,2,3,4-tetrahydro-4-hydroxy-2-naphthoate (91307-39-0)

Guidance literature:

With potassium carbonate; In ethanol;

DOI:10.1021/jo981698q

Reference yield: 67.0%

2-Bromomethyl-1-oxo-indan-2-carboxylic acid ethyl ester → ethyl 1,2,3,4-tetrahydro-4-hydroxy-2-naphthoate (91307-39-0)

Guidance literature:

With Quinuclidine; In benzene; for 4h; Solvent; Concentration; Time; Reagent/catalyst; Inert atmosphere; Irradiation;

DOI:10.1007/s11164-012-0646-2

Reference yield: 49.0%

2-Bromomethyl-1-oxo-indan-2-carboxylic acid ethyl ester → 5-ethoxycarbonyl-1,2-benzo-3-oxocyclohexenone (22743-00-6) + ethyl 1,2,3,4-tetrahydro-4-hydroxy-2-naphthoate (91307-39-0) + ethyl 2-methyl-1-oxo-2,3-dihydro-1H-indene-2-carboxylate (91910-16-6)

Guidance literature:

With 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole; In water; acetonitrile; for 4h; Solvent; Concentration; Time; Reagent/catalyst; Inert atmosphere; Irradiation;

DOI:10.1007/s11164-012-0646-2

upstream raw materials:

ethanol

3-hydroxynaphthoic acid

2-(ethoxycarbonyl)-1,4-dihydro-1,4-epoxynaphthalene

ethyl 4-acetoxynaphthalene-2-carboxylate

Downstream raw materials:

4-Benzyloxy-1-bromo-naphthalene-2-carboxylic acid ethyl ester

4-methoxynaphthalene-2-carboxylic acid ethyl ester

ethyl 1-(2-bromoethyl)-5,6,7,8-tetrahydronaphthyl-3-carboxylate

ethyl 1-(2-bromoethyl)-4-bromo-5,6,7,8-tetrahydronapthyl-3-carboxylate

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