Ethyl 2,4-dimethylbenzoate

Base Information

• Chemical Name: Ethyl 2,4-dimethylbenzoate
• CAS No.: 33499-42-2
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• Hs Code.: 2916399090
• European Community (EC) Number: 251-544-2
• DSSTox Substance ID: DTXSID10187134
• Nikkaji Number: J308.295D
• Wikidata: Q83058689
• Mol file: 33499-42-2.mol

Synonyms:Ethyl 2,4-dimethylbenzoate;33499-42-2;2,4-dimethylbenzoic acid ethyl ester;Benzoic acid, 2,4-dimethyl-, ethyl ester;EINECS 251-544-2;MFCD00015438;SCHEMBL1107151;DTXSID10187134;2,4-dimethyl-benzoic acid ethyl ester;AKOS008947920;AC-2942;AM808251;BS-23547;SY003392;CS-0151847;FT-0610148;A821801

Chemical Property of Ethyl 2,4-dimethylbenzoate

Chemical Property:

• Vapor Pressure: 0.03mmHg at 25°C
• Refractive Index: 1.5130
• Boiling Point: 244.6 °C at 760 mmHg
• Flash Point: 107 °C
• PSA: 26.30000
• Density: 1.01 g/cm³
• LogP: 2.48010
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Not miscible or difficult to mix with water.
• 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:

99% ^*data from raw suppliers

Ethyl2,4-dimethylbenzoate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C(C=C1)C)C
• Uses: It is employed as intermediate for pharmaceutical.

Technology Process of Ethyl 2,4-dimethylbenzoate

There total 5 articles about Ethyl 2,4-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: 88.0%

ethanol (64-17-5) + 2,4-dimethyl-benzoic acid (611-01-8) → 2,4-dimethylbenzoic acid ethyl ester (33499-42-2)

Guidance literature:

With sulfuric acid; In benzene; for 48h; Heating;

DOI:10.1080/104265090507678

Reference yield: 34.0%

(1SR,4SR)-1,3,3-trimethyl-5-methylene-7-ethoxycarbonylbicyclo[2.2.2]oct-7-en-2-one → 2,4-dimethylbenzoic acid ethyl ester (33499-42-2) + ethyl (1SR,6RS)-3,7,7-trimethyl-5-methylene-8-oxobicyclo[4.2.0]oct-2-ene-2-carboxylate

Guidance literature:

In methanol; for 24h; Irradiation;

DOI:10.1021/jo0301191

Reference yield:

2,4-dimethyl-benzoic acid (611-01-8) → 2,4-dimethylbenzoic acid ethyl ester (33499-42-2)

Guidance literature:

With calcium hydroxide; sulfuric acid; In ethanol;

upstream raw materials:

ethanol

2,4-dimethyl-benzoic acid

1-bromo-2,4-dimethylbenzene

2,4-dimethylbenzoyl chloride

Downstream raw materials:

2,4-dimethylbenzoylhydrazide

ethyl 3,5-dimethyl-phenol-2-carboxylate

4-carboethoxy-3-methylbenzaldehyde

ethyl (E)-4-[(2,3-dihydro-2,2,4,4-tetramethyl-2H-1-benzothiopyran-6-yl)-1-propenyl]-2-methylbenzoate

Refernces

• 1、 Xu,Wang,Luo,Yu,Guo,Fu,Zhao,Wu. "Design, synthesis, insecticidal activity and 3D-QSR study for novel trifluoromethyl pyridine derivatives containing an 1,3,4-oxadiazole moiety". . p. 6306 - 6314. Retrieved 2018/02/19.
• 2、 -. "COMPOSITIONS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA". Paragraph 0206. . Retrieved 2016/04/19.