Ethyl 2-ethoxybenzoate

Base Information

• Chemical Name: Ethyl 2-ethoxybenzoate
• CAS No.: 6290-24-0
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 613-104-1
• NSC Number: 6584
• DSSTox Substance ID: DTXSID20278183
• Nikkaji Number: J256.545E
• Wikidata: Q72474773
• Mol file: 6290-24-0.mol

Synonyms:Ethyl 2-ethoxybenzoate;6290-24-0;2-Ethoxybenzoic Acid Ethyl Ester;ethyl o-ethoxybenzoate;Ethyl 2-Ethoxy-benzoate;Ethyl 2-ethoxybenzoate #;SCHEMBL536025;DTXSID20278183;NSC6584;2-ethoxy benzoic acid ethyl ester;Benzoic acid, ethoxy-, ethyl ester;Ethyl 2-ethoxybenzoate, AldrichCPR;NSC 6584;NSC-6584;MFCD00142907;AKOS008948359;Benzoic acid, 2-ethoxy-, ethyl ester;AC-11541;AS-12039;CS-0151456;E0413;FT-0636070;D87677;A834078

Chemical Property of Ethyl 2-ethoxybenzoate

Chemical Property:

• Vapor Pressure: 0.021mmHg at 25°C
• Refractive Index: 1.5090-1.5130
• Boiling Point: 251 °C
• Flash Point: 110.3°C
• PSA: 35.53000
• Density: 1,07 g/cm3
• LogP: 2.26200
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 179

Purity/Quality:

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

Ethyl 2-ethoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1C(=O)OCC

Technology Process of Ethyl 2-ethoxybenzoate

There total 12 articles about Ethyl 2-ethoxybenzoate 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: 91.0%

ethylamine (75-04-7,85404-22-4) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → ethyl 2-ethoxybenzoate (6290-24-0)

Guidance literature:

With sodium hydrogensulfite; sodium chloride; tin(ll) chloride; at 9 ℃; for 9h; Temperature;

Reference yield: 81.0%

tetraethoxy orthosilicate (78-10-4) + ethyl 2-iodobenzoate (1829-28-3) → ethyl 2-ethoxybenzoate (6290-24-0)

Guidance literature:

With oxygen; copper diacetate; caesium carbonate; In N,N-dimethyl-formamide; at 145 ℃; for 18h; under 760.051 Torr;

DOI:10.1039/c9nj01777a

Reference yield: 80.0%

diethyl sulfate (64-67-5) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → ethyl 2-ethoxybenzoate (6290-24-0)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 3.16667h; Heating / reflux;

upstream raw materials:

ethyl iodide

dipotassium salicylate

ethyl bromide

salicylic acid

Downstream raw materials:

4-amino-5-(2-ethoxy-phenyl)-2,4-dihydro-[1,2,4]triazole-3-thione

methyl 3α-(2-(4-amino-3-(2-ethoxyphenyl)-5-thioxo-4,5-dihydro-1,2,4-triazol-1-yl)acetoxy)-12α-hydroxycholanate

N'-(2-ethoxy-benzoyl)-hydrazinecarbodithioic acid; potassium salt

2-(2-Ethoxyphenyl)-5-((2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)thio)-1,3,4-oxadiazole

Refernces

• 1、 -. "Composition FOR PREVENTING ALOPECIA AND ACTIVATING HAIR GROWTH". Paragraph 0116; 0118; 0119. . Retrieved 2018/02/16.
• 2、 -. "Synthetic method for medical intermediate ethyl o-ethoxybenzoate of o-ethoxybenzoate". Paragraph 0013; 0014. . Retrieved 2016/11/17.