Ethyl 2-(4-isobutylphenyl)propionate

Base Information

• Chemical Name: Ethyl 2-(4-isobutylphenyl)propionate
• CAS No.: 41283-72-1
• Molecular Formula: C15H22O2
• Molecular Weight: 234.338
• Hs Code.: 2916399090
• European Community (EC) Number: 255-291-9
• UNII: VFV3GE4AS8
• DSSTox Substance ID: DTXSID00961546
• Nikkaji Number: J320.040J
• Mol file: 41283-72-1.mol

Synonyms:41283-72-1;Ethyl 2-(4-isobutylphenyl)propionate;ethyl 2-(4-isobutylphenyl)propanoate;Ibuprofen ethyl ester;ethyl 2-[4-(2-methylpropyl)phenyl]propanoate;Ibuprofen ethyl;VFV3GE4AS8;Hydratropic acid, p-isobutyl-, ethyl ester;EINECS 255-291-9;MFCD00869901;ethyl 2-(4-isobutyl-phenyl)-propionate;Ibuprofen, ethyl ester;UNII-VFV3GE4AS8;SCHEMBL3281060;DTXSID00961546;ethyl2-(4-isobutylphenyl)propanoate;BBL102794;Ethyl 2-(4-isobutylphenyl)propanoat;STL556601;AKOS005259916;ethyl 2-(4'-isobutylphenyl)propionate;ethyl 2-(4-isobutylphenyl)-propionate;ethyl alpha-(p-isobutylpheny)propionate;ethyl 4-isobutyl-alpha-methylphenylacetate;FT-0684430;2-(4-Isobutylphenyl)-propionic acid ethyl ester;Ethyl 2-(4-isobutylphenyl)propionate, AldrichCPR;2-[4-(2-methyl-propyl)-phenyl]-propionic acid ethyl ester;Benzenacetic acid, alpha-methyl-4-(2-methylpropyl)-, ethyl ester;BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, ETHYL ESTER

Chemical Property of Ethyl 2-(4-isobutylphenyl)propionate

Chemical Property:

• Vapor Pressure: 0.000879mmHg at 25°C
• Boiling Point: 304.3°C at 760 mmHg
• Flash Point: 103.1°C
• PSA: 26.30000
• Density: 0.967g/cm³
• LogP: 3.55170
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 234.161979940
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

IbuprofenEthylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C
• Uses: Ibuprofen Ethyl Ester is a derivative of Ibuprofen, a nonsteroidal anti-inflammatory drug (NSAID) that is known to inhibit PGH synthase-1 and PGH synthase-2 with comparable potency.

Technology Process of Ethyl 2-(4-isobutylphenyl)propionate

There total 14 articles about Ethyl 2-(4-isobutylphenyl)propionate 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%

ibuprofen (15687-27-1,58560-75-1) → ibuprofen ethyl ester (41283-72-1)

Guidance literature:

With chloro-trimethyl-silane; In ethanol; at 20 ℃; for 2h;

Reference yield: 98.0%

ethanol (64-17-5) + ibuprofen (15687-27-1,58560-75-1) → ibuprofen ethyl ester (41283-72-1)

Guidance literature:

With toluene-4-sulfonic acid; for 12h; Heating;

DOI:10.1002/jlcr.1105

Reference yield: 93.4%

ethanol (64-17-5) + (+/-)-2-(4-isobutylphenyl)propanoyl chloride (71381-91-4,114978-05-1,115588-20-0,34715-60-1) → ibuprofen ethyl ester (41283-72-1)

Guidance literature:

In dichloromethane;

DOI:10.1016/j.tetasy.2005.07.009

upstream raw materials:

ethanol

ibuprofen

(E)-4-methyl-1-morpholino-1-pentene

methyl vinyl ketone

Downstream raw materials:

2-(4-isobutylphenyl)propan-1-ol

β-ethoxy-4-isobutyl-α-methyl-β-(trimethylsiloxy)-styrene

6-bromo-2-(4-isobutylphenyl)-2-methylhexanoic acid ethyl ester

2-bromoibuprofen ethyl ester

Refernces

• 1、 Kourounakis, Angeliki,Lambrinidis, George,Tzara, Ariadni. "Design of multifaceted antioxidants: Shifting towards anti-inflammatory and antihyperlipidemic activity". . . Retrieved 2021/08/30.
• 2、 Fan, Xinjiong,Fu, Yao,Liu, Xiaolong,Zhao, Meng. "Reshaping the active pocket of esterase Est816 for resolution of economically important racemates". . p. 6126 - 6133. Retrieved 2021/09/28.