Ethyl 2,5-dimethylbenzoate

Base Information

• Chemical Name: Ethyl 2,5-dimethylbenzoate
• CAS No.: 33499-43-3
• Molecular Formula: C11H14O2
• Molecular Weight: 178.22800
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10558966
• Wikidata: Q82441460
• Mol file: 33499-43-3.mol

Synonyms:ETHYL 2,5-DIMETHYLBENZOATE;33499-43-3;2,5-Dimethylbenzoic acid ethyl ester;SCHEMBL4834369;DTXSID10558966;ETHYL-2,5-DIMETHYLBENZOATE;MFCD00048548;AKOS008948114;CS-0323495;F97158

Chemical Property of Ethyl 2,5-dimethylbenzoate

Chemical Property:

• Vapor Pressure: 0.026mmHg at 25°C
• Boiling Point: 247.162oC at 760 mmHg
• Flash Point: 108.287oC
• PSA: 26.30000
• Density: 1.01g/cm3
• LogP: 2.48010
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 177

Purity/Quality:

98% ^*data from raw suppliers

Ethyl2,5-dimethylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CC(=C1)C)C

Technology Process of Ethyl 2,5-dimethylbenzoate

There total 1 articles about Ethyl 2,5-dimethylbenzoate 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%

ethanol (64-17-5) + 2,5-dimethylbenzoic acid (610-72-0) → Ethyl 2,5-dimethylbenzoate (33499-43-3)

Guidance literature:

With sulfuric acid; Heating;

DOI:10.1002/chem.19970030123

Reference yield: 65.0%

2,5-dimethyl-1,3,4-thiadiazole (27464-82-0) + Ethyl 2,5-dimethylbenzoate (33499-43-3) → 1-(2,5-Dimethylphenyl)-2-[5-methyl-1,3,4-thiadiazol-2-yl]ethanon

Guidance literature:

2,5-dimethyl-1,3,4-thiadiazole; With sodium hydride; In toluene; at 30 - 60 ℃; for 1h;

Ethyl 2,5-dimethylbenzoate; In toluene; for 4h; Heating;

DOI:10.1515/znb-2004-0403

Reference yield: 40.0%

Ethyl 2,5-dimethylbenzoate (33499-43-3) → 2,5-bis(bromomethyl)benzoate (148692-73-3)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; for 4h; Heating;

DOI:10.1002/chem.19970030123

upstream raw materials:

ethanol

2,5-dimethylbenzoic acid

Downstream raw materials:

2,5-bis(bromomethyl)benzoate

ethyl 5-bromomethyl-2-methylbenzoate

ethyl 2-bromomethyl-5-methylbenzoate