Methyl 4-ethylbenzoate

Base Information

• Chemical Name: Methyl 4-ethylbenzoate
• CAS No.: 7364-20-7
• Molecular Formula: C10H12O2
• Molecular Weight: 164.204
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00223858
• Nikkaji Number: J526.209G
• Wikidata: Q83102353
• Mol file: 7364-20-7.mol

Synonyms:Methyl 4-ethylbenzoate;7364-20-7;4-ethylbenzoic acid methyl ester;Benzoic acid, 4-ethyl-,methyl ester;Benzoic acid, 4-ethyl-, methyl ester;4-Ethylbenzoic acid, methyl ester;METHYL-4-ETHYLBENZOATE;Methyl 4-ethylbenzoate #;METHYL P-ETHYLBENZOATE;SCHEMBL131711;DTXSID00223858;Benzoic acid,4-ethyl-,methyl ester;MFCD00221477;AKOS002392955;PS-5941;CS-0152513;FT-0693557;D81980;EN300-134744

Chemical Property of Methyl 4-ethylbenzoate

Chemical Property:

• Vapor Pressure: 0.0429mmHg at 25°C
• Refractive Index: 1.505
• Boiling Point: 238.2 °C at 760 mmHg
• Flash Point: 103.2 °C
• PSA: 26.30000
• Density: 1.025 g/cm³
• LogP: 2.03560
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

98% ^*data from raw suppliers

Methyl4-Ethylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(=O)OC

Technology Process of Methyl 4-ethylbenzoate

There total 36 articles about Methyl 4-ethylbenzoate 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: 98.0%

4-ethylacetophenone (937-30-4) → 4-ethyl-benzoic acid methyl ester (7364-20-7)

Guidance literature:

With oxygen; 1-(n-butyl)-3-methylimidazolium triflate; at 20 ℃; for 0.333333h; Electrochemical reaction; Green chemistry;

DOI:10.4314/bcse.v30i2.14

Reference yield: 97.0%

methanol (67-56-1) + p-ethylbenzoic acid (619-64-7) → 4-ethyl-benzoic acid methyl ester (7364-20-7)

Guidance literature:

With sulfuric acid; at 80 ℃; for 7h;

DOI:10.1021/acs.orglett.5b01231

Reference yield: 97.0%

methyl 4-vinylbenzoate (1076-96-6) → 4-ethyl-benzoic acid methyl ester (7364-20-7)

Guidance literature:

With iron(III) chloride; lithium aluminium tetrahydride; hydrogen; In tetrahydrofuran; at 18 ℃; for 6h; under 750.075 Torr; Inert atmosphere; Sealed tube;

DOI:10.1039/c4gc02368d

upstream raw materials:

methanol

p-ethylbenzoic acid

4-(2-hydroxyethyl)benzoic acid methyl ester

p-ethylbenzoyl chloride

Downstream raw materials:

methyl R,S-4-(1-bromoethyl)-benzoate

methyl 4-acetylbenzoate

bis(4-tert-butylphenyl)(4-ethylphenyl)methanol

Refernces

• 1、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Manna, Kuntal. "Metal-Organic Framework-Confined Single-Site Base-Metal Catalyst for Chemoselective Hydrodeoxygenation of Carbonyls and Alcohols". supporting information. p. 9029 - 9039. Retrieved 2021/06/28.
• 2、 Chindawong, Chakkresit,Mekrattanachai, Pagasukon,Setthaya, Naruemon,Song, Wei Guo,Zhu, Lei. "The Highly Effective Cobalt Based Metal–Organic Frameworks Catalyst for One Pot Oxidative Esterification Under Mild Conditions". . . Retrieved 2021/08/03.