Ethyl 2-naphthoate

Base Information

• Chemical Name: Ethyl 2-naphthoate
• CAS No.: 3007-91-8
• Molecular Formula: C13H12O2
• Molecular Weight: 200.237
• European Community (EC) Number: 221-119-6
• NSC Number: 171216
• DSSTox Substance ID: DTXSID10184143
• Nikkaji Number: J191.467G
• Wikidata: Q63408713
• ChEMBL ID: CHEMBL216881
• Mol file: 3007-91-8.mol

Synonyms:Ethyl 2-naphthoate;3007-91-8;Ethyl beta-naphthoate;ethyl naphthalene-2-carboxylate;beta-Naphthoic acid ethyl ester;2-Naphthalenecarboxylic acid, ethyl ester;Ethyl .beta.-naphthoate;AI3-11104;EINECS 221-119-6;naphthalene-2-carboxylic acid ethyl ester;ETHYL2-NAPHTHOATE;Ethyl -naphthoate;Ethyl b-naphthoate;2-Naphthoic acid ethyl ester;SCHEMBL571295;CHEMBL216881;DTXSID10184143;MFCD00016811;NSC171216;ETHYL 2-NAPHTHALENECARBOXYLATE;2-naphthyl carboxylic acid ethyl ester;AKOS008715806;NSC 171216;NSC-171216;AI311104;AI3 11104;CS-0361464;FT-0634596;E83813;A820179;J-017765;Q63408713

Chemical Property of Ethyl 2-naphthoate

Chemical Property:

• Vapor Pressure: 0.000678mmHg at 25°C
• Melting Point: 32°C
• Refractive Index: 1.595
• Boiling Point: 308.5 °C at 760 mmHg
• Flash Point: 148.7 °C
• PSA: 26.30000
• Density: 1.125 g/cm³
• LogP: 3.01650
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 200.083729621
• Heavy Atom Count: 15
• Complexity: 225

Purity/Quality:

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

β-NaphthoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-naphthoate

There total 48 articles about Ethyl 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: 99.0%

ethanol (64-17-5) + naphthalene-2-carboxylate (93-09-4) → ethyl-2-naphthoate (3007-91-8)

Guidance literature:

With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine; In 1,2-dichloro-ethane; at 20 ℃; for 5h;

DOI:10.1055/s-0039-1690017

Reference yield: 93.0%

ethanol (64-17-5) + β-naphthaldehyde (66-99-9) → ethyl-2-naphthoate (3007-91-8)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; benzyl chloride; at 90 ℃; for 0.5h; Microwave irradiation;

DOI:10.1016/j.tetlet.2011.08.021

Reference yield: 92.0%

2-naphthamide (2243-82-5) + ethanol (64-17-5) → ethyl-2-naphthoate (3007-91-8)

Guidance literature:

With potassium hydrogensulfate; at 78 ℃; for 48h;

DOI:10.24820/ark.5550190.p010.392

upstream raw materials:

ethanol

2-naphthaloyl chloride

naphthalene-2-carboxylate

diethyl 2-(isochroman-1-yl)malonate

Downstream raw materials:

2-isopropenylnaphthalene

2-Naphthalenemethanol

2-naphthohydrazide

tributyl(naphthalene-2-yl)stannane

Refernces

• 1、 Gavara, Laurent,Legru, Alice,Verdirosa, Federica,Sevaille, Laurent,Nauton, Lionel,Corsica, Giuseppina,Mercuri, Paola Sandra,Sannio, Filomena,Feller, Georges,Coulon, Rémi,De Luca, Filomena,Cerboni, Giulia,Tanfoni, Silvia,Chelini, Giulia,Galleni, Moreno,Docquier, Jean-Denis,Hernandez, Jean-Fran?ois. "4-Alkyl-1,2,4-triazole-3-thione analogues as metallo-β-lactamase inhibitors". supporting information. . Retrieved 2021/06/15.
• 2、 Dong, Jianyu,Chen, Xiuling,Ji, Fangyan,Liu, Lixin,Su, Lebin,Mo, Min,Tang, Jian-Sheng,Zhou, Yongbo. "Copper-mediated simple and direct aerobic oxidative esterification of arylacetonitriles with alcohols/phenols". . . Retrieved 2020/10/20.