Ethyl anthracene-9-carboxylate

Base Information

• Chemical Name: Ethyl anthracene-9-carboxylate
• CAS No.: 1754-54-7
• Molecular Formula: C17H14O2
• Molecular Weight: 250.297
• DSSTox Substance ID: DTXSID80505568
• Nikkaji Number: J908.211E
• Wikidata: Q82360778
• Mol file: 1754-54-7.mol

Synonyms:1754-54-7;ethyl anthracene-9-carboxylate;9-Anthracenecarboxylic acid ethyl ester;9-Anthracenecarboxylic acid, ethyl ester;Anthracene-9-carboxylic acid ethyl ester;ethylanthracene-9-carboxylate;SCHEMBL5835576;DTXSID80505568;MFCD06204281;AKOS015838808;FT-0655281;A812088

Chemical Property of Ethyl anthracene-9-carboxylate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 416.098oC at 760 mmHg
• Flash Point: 194.157oC
• PSA: 26.30000
• Density: 1.18g/cm3
• LogP: 4.16970
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 250.099379685
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

97% ^*data from raw suppliers

Anthracene-9-carboxylicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31

Technology Process of Ethyl anthracene-9-carboxylate

There total 6 articles about Ethyl anthracene-9-carboxylate 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: 77.0%

10-Mercapto-9,10-dihydro-anthracene-9-carboxylic acid ethyl ester (74356-06-2) → Anthracene-9-carboxylic acid ethyl ester (1754-54-7)

Guidance literature:

With potassium hydroxide; In ethanol; for 0.0333333h; Heating;

DOI:10.1021/jo01306a034

Reference yield:

ethanol (64-17-5) + anthracen-9-carboxylic acid (723-62-6) → Anthracene-9-carboxylic acid ethyl ester (1754-54-7)

Guidance literature:

anthracen-9-carboxylic acid; With trifluoroacetic anhydride; In benzene;

ethanol; In benzene; at 20 ℃;

With water; potassium carbonate; In benzene;

DOI:10.1039/c1jm10228a

Reference yield:

ethanol (64-17-5) + C17H9F3O3 → Anthracene-9-carboxylic acid ethyl ester (1754-54-7)

Guidance literature:

In dichloromethane; for 2h;

DOI:10.1021/j100091a009

upstream raw materials:

ethanol

2,2-Bis(1,2,4-triazol-1-yl)dibenzo-2-thiabicyclo<2.2.2>octane

10-Mercapto-9,10-dihydro-anthracene-9-carboxylic acid ethyl ester

anthracen-9-carboxylic acid

Downstream raw materials:

anthracene

ethyl 9,10-dihydroanthracene-10-carboxylate

diethyl 9,9',10,10'-tetrahydro-9,9'-dianthronate

9,10,9',10',9'',10''-Hexahydro-[9,9';10',9'']teranthracene-10,10''-dicarboxylic acid diethyl ester