Methyl 2-ethoxybenzoate

Base Information

• Chemical Name: Methyl 2-ethoxybenzoate
• CAS No.: 3686-55-3
• Molecular Formula: C10H12 O3
• Molecular Weight: 180.203
• Hs Code.: 2918990090
• European Community (EC) Number: 609-301-7
• NSC Number: 406652
• DSSTox Substance ID: DTXSID90324409
• Nikkaji Number: J47.062G
• Wikidata: Q63398875
• Mol file: 3686-55-3.mol

Synonyms:Methyl 2-ethoxybenzoate;3686-55-3;2-Ethoxybenzoic Acid Methyl Ester;Methyl o-ethoxybenzoate;R 172 (The insectifuge);NSC 406652;Benzoic acid, 2-ethoxy-, methyl ester;Benzoic acid, o-ethoxy-, methyl ester;SCHEMBL1989129;QAYQKAPOTVSWLS-UHFFFAOYSA-;DTXSID90324409;o-ethoxy benzoic acid menthyl ester;MFCD00017261;NSC406652;AKOS008904740;NSC-406652;AS-57972;CS-0187475;FT-0634963;M1785;R 172;R-172;D91532;A823414;J-522011;Q63398875

Chemical Property of Methyl 2-ethoxybenzoate

Chemical Property:

• Vapor Pressure: 0.0139mmHg at 25°C
• Refractive Index: 1.5180 to 1.5220
• Boiling Point: 258.2 °C at 760 mmHg
• Flash Point: 102.1 °C
• PSA: 35.53000
• Density: 1.073 g/cm³
• LogP: 1.87190
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

98.0%Min ^*data from raw suppliers

Methyl 2-Ethoxybenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-ethoxybenzoate

There total 7 articles about Methyl 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: 84.4%

ethyl iodide (75-03-6) + methyl salicylate (119-36-8,8024-54-2) → methyl 2-ethoxybenzoate (3686-55-3)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 12h;

Reference yield:

diethyl sulfate (64-67-5) + methyl salicylate (119-36-8,8024-54-2) → methyl 2-ethoxybenzoate (3686-55-3)

Guidance literature:

methyl salicylate; With potassium hydroxide; In acetone; at 20 ℃; for 0.5h;

diethyl sulfate; In acetone; Reflux;

Reference yield:

methanol (67-56-1) + 2-ethoxybenzoic acid (134-11-2) → methyl 2-ethoxybenzoate (3686-55-3)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

methanol

2-ethoxybenzoic acid

ethyl iodide

methyl salicylate

Downstream raw materials:

2-ethoxybenzamide

3-(2-ethoxyphenyl)-3-oxopropanenitrile

methyl 5-(chlorosulfonyl)-2-ethoxybenzoate

2-ethoxybenzoic acid

Refernces

• 1、 -. "SULPHAMOYLARYL DERIVATIVES AND USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF LIVER FIBROSIS". Page/Page column 90. . Retrieved 2018/09/08.
• 2、 Nazreen, Syed,Alam, Mohammad Sarwar,Hamid, Hinna,Yar, Mohammad Shahar,Shafi, Syed,Dhulap, Abhijeet,Alam, Perwez,Pasha,Bano, Sameena,Alam, Mohammad Mahboob,Haider, Saqlain,Ali, Yakub,Kharbanda, Chetna,Pillai. "Design, synthesis, in silico molecular docking and biological evaluation of novel oxadiazole based thiazolidine-2,4-diones bis-heterocycles as PPAR-γ agonists". . p. 175 - 185. Retrieved 2015/01/09.