Ethyl 2-ethoxy-4-methylbenzoate

Base Information

• Chemical Name: Ethyl 2-ethoxy-4-methylbenzoate
• CAS No.: 88709-17-5
• Molecular Formula: C12H16O3
• Molecular Weight: 208.257
• Hs Code.: 2918990090
• European Community (EC) Number: 618-203-3
• DSSTox Substance ID: DTXSID60473514
• Wikidata: Q82302953
• Mol file: 88709-17-5.mol

Synonyms:ETHYL 2-ETHOXY-4-METHYLBENZOATE;88709-17-5;Benzoic acid, 2-ethoxy-4-methyl-, ethyl ester;Ethyl2-ethoxy-4-methylbenzoate;SCHEMBL1515799;DTXSID60473514;Ethyl-2-ethoxy-4-methyl-benzoate;PQLJVFJXXWBUPR-UHFFFAOYSA-N;MFCD09701458;AKOS016005551;DS-3933;CS-0151496;FT-0764475;O11753;A923138

Chemical Property of Ethyl 2-ethoxy-4-methylbenzoate

Chemical Property:

• PSA: 35.53000
• LogP: 2.57040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99.9% ^*data from raw suppliers

Ethyl2-ethoxy-4-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=CC(=C1)C)C(=O)OCC

Technology Process of Ethyl 2-ethoxy-4-methylbenzoate

There total 4 articles about Ethyl 2-ethoxy-4-methylbenzoate 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: 100.0%

ethyl bromide (74-96-4) + 2-hydroxy-p-toluic acid (50-85-1) → ethyl 2-ethoxy-4-methyl-benzoate (88709-17-5)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 35 - 40 ℃; for 11h;

Reference yield: 99.0%

2-hydroxy-p-toluic acid (50-85-1) + ethyl iodide (75-03-6) → ethyl 2-ethoxy-4-methyl-benzoate (88709-17-5)

Guidance literature:

2-hydroxy-p-toluic acid; With potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 0.5h;

ethyl iodide; In N,N-dimethyl-formamide; at 55 ℃; for 20h;

Reference yield: 94.11%

diethyl sulfate (64-67-5) + 2-hydroxy-p-toluic acid (50-85-1) → ethyl 2-ethoxy-4-methyl-benzoate (88709-17-5)

Guidance literature:

With potassium carbonate; In toluene; at 25 - 45 ℃; for 21 - 31.5h; Heating / reflux;

upstream raw materials:

ethyl bromide

2-hydroxy-p-toluic acid

ethyl iodide

diethyl sulfate

Downstream raw materials:

ethyl 4-bromomethyl-2-ethoxy-benzoate

ethyl 4-cyanomethyl-2-ethoxy-benzoate

2-ethoxy-[4-(carboxymethyl)]benzoic acid

2-(3-ethoxy-4-(ethoxycarbonyl)phenyl) acetic acid

Refernces

• 1、 -. "PRMT5 INHIBITORS". Page/Page column 72-73. . Retrieved 2021/06/26.
• 2、 -. "TETRAHYDROISOQUINOLINES AS PRMT5 INHIBITORS". Page/Page column 72. . Retrieved 2017/09/27.