Benzoic acid, 4-butoxy-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 4-butoxy-, ethyl ester
• CAS No.: 5365-43-5
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• Hs Code.: 2918990090
• Mol file: 5365-43-5.mol

Synonyms:

Chemical Property of Benzoic acid, 4-butoxy-, ethyl ester

Chemical Property:

• Boiling Point: 196-197.5 °C(Press: 31 Torr)
• PSA: 35.53000
• Density: 1.022±0.06 g/cm3(Predicted)
• LogP: 3.04220

Purity/Quality:

95% ^*data from raw suppliers

4-Butoxybenzoicacidethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-butoxy-, ethyl ester

There total 7 articles about Benzoic acid, 4-butoxy-, ethyl ester 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: 90.0%

ethyl 4-chlorobenzoate (7335-27-5) + butan-1-ol (71-36-3) → ethyl 4-butoxybenzoate (5365-43-5)

Guidance literature:

With (4,4′-di-tert-butyl-2,2′-dipyridyl)Ni(o-tolyl)(Br); 1,8-diazabicyclo[5.4.0]undec-7-ene; In toluene; at 80 ℃; for 12h; Inert atmosphere; Sealed tube; UV-irradiation;

DOI:10.1002/anie.202003359

Reference yield: 82.0%

4-methoxycarbonylphenyl bromide (619-42-1) + butan-1-ol (71-36-3) → ethyl 4-butoxybenzoate (5365-43-5)

Guidance literature:

With nickel(II) sulfate hexahydrate; 4,4'-Dimethoxy-2,2'-bipyridin; C₄₁H₄₀O₁₆; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 24h; Schlenk technique; Irradiation; Inert atmosphere;

DOI:10.1016/j.jcat.2021.05.003

Reference yield: 55.0%

Ethyl 4-hydroxybenzoate (120-47-8) + 1-iodo-butane (542-69-8) → ethyl 4-butoxybenzoate (5365-43-5)

Guidance literature:

With potassium carbonate; In acetone; for 48h; Heating;

DOI:10.1002/1522-2675(20010815)84:8<2316::AID-HLCA2316>3.0.CO;2-Z

upstream raw materials:

1-bromo-butane

Ethyl 4-hydroxybenzoate

1-iodo-butane

4-hydroxy-benzoic acid

Downstream raw materials:

C₁₆H₂₅N₃O₃

C₁₂H₁₄N₂O₃

4-butyl-5-(4-butoxyphenyl)-2H-1,2,4-triazole-3(4H)-one

tris[2-(4-butyloxybenzoyloxy)ethyl]amine

Refernces

• 1、 Guo, Baodang,Huang, Shuping,Li, Jia,Li, Min,Liu, Xuanzhong,Rao, Yijian,Wu, Yawen,Yin, Huimin,Yuan, Zhenbo,Zhang, Yan. "Discovery and characterization of a novel perylenephotoreductant for the activation of aryl halides". . p. 111 - 120. Retrieved 2021/06/16.
• 2、 Sánchez, Ignacio,Fernández-Lodeiro, Adrián,Oliveira, Elisabete,Campo, José Antonio,Torres, M. Rosario,Cano, Mercedes,Lodeiro, Carlos. "Triketonate difluoroboron complexes. Substitution-dependent liquid crystal and photophysical properties". . p. 184 - 200. Retrieved 2016/09/07.