1-ETHYL-4-(2-METHYLPROPYL)BENZENE

Base Information

• Chemical Name: 1-ETHYL-4-(2-METHYLPROPYL)BENZENE
• CAS No.: 100319-40-2
• Molecular Formula: C12H18
• Molecular Weight: 162.275
• Mol file: 100319-40-2.mol

Synonyms:Benzene,1-ethyl-4-isobutyl- (6CI); 1-(4'-Isobutylphenyl)ethane;1-Ethyl-4-(2-methylpropyl)benzene; 1-Ethyl-4-isobutylbenzene; p-Isobutylethylbenzene

Chemical Property of 1-ETHYL-4-(2-METHYLPROPYL)BENZENE

Chemical Property:

• Boiling Point: 211 °C
• PSA: 0.00000
• Density: 0.861±0.06 g/cm3(Predicted)
• LogP: 3.44750
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

1-Ethyl-4-isobutylbenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-Ethyl-4-isobutylbenzene is produced from the reductive deoxygenation of 4''-Isobutylacetophenone (I780065), a degradation product of Ibuprofen in tablets, which is a known toxin.

Technology Process of 1-ETHYL-4-(2-METHYLPROPYL)BENZENE

There total 16 articles about 1-ETHYL-4-(2-METHYLPROPYL)BENZENE 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: 99.0%

1-ethyl-4-(2-methylprop-1-en-1-yl)benzene (105737-92-6) → 1-ethyl-4-(2-methylpropyl)benzene (100319-40-2)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethyl acetate;

DOI:10.1021/jacs.1c03872

Reference yield: 95.0%

2-iodo-propane (75-30-9) + 4-methylethylbenzene (622-96-8) → 1-ethyl-4-(2-methylpropyl)benzene (100319-40-2)

Guidance literature:

With potassium tert-butylate; tert.-butyl lithium; In hexane; pentane; at -20 - 20 ℃; Flow reactor;

DOI:10.1002/chem.201903267

Reference yield: 86.0%

1-(4-isobutyl-phenyl)-ethanone (38861-78-8) → 1-ethyl-4-(2-methylpropyl)benzene (100319-40-2)

Guidance literature:

With palladium 10% on activated carbon; In methanol; chlorobenzene; at 25 ℃; for 2h; Sealed tube;

DOI:10.1021/jacs.9b05360

upstream raw materials:

1-(4-ethylphenyl)-2-methylpropan-1-one

ibuprofen

diethyl 1-cyano-1-(4-isobutylphenyl)ethylphosphate

4-methylethylbenzene

Downstream raw materials:

ibuprofen

ibuprofen ethyl ester

N-benzyl-2-(4-isobutylphenyl)-N-(naphthalen-1-ylmethyl)propanamide

1-(4-isobutyl-phenyl)-ethanone

Refernces

• 1、 Chakma, Sankar,Moholkar, Vijayanand S.. "Investigations in sono-enzymatic degradation of ibuprofen". . p. 485 - 494. Retrieved 2016.
• 2、 Toth, Imre,Elsevier, Cornelis J.,De Vries, Johannes G.,Bakos, Jozsef,Smeets, Wilberth J. J.,Spek, Anthony L.. "Synthesis of Pt compounds containing chiral (2S,4S)-pentane-2,4-diyl-bis(5H-dibenzo[b]phosphindole) as ligand and their use in asymmetric hydroformylation of styrene derivatives". . p. 15 - 25. Retrieved 1997.
• 3、 Meng, Qing-Yuan,Schirmer, Tobias E.,Berger, Anna Lucia,Donabauer, Karsten,K?nig, Burkhard. "Photocarboxylation of Benzylic C-H Bonds". . p. 11393 - 11397. Retrieved 2019.
• 4、 Zaccheria, Federica,Ravasio, Nicoletta,Ercoli, Mauro,Allegrini, Pietro. "Heterogeneous Cu-catalysts for the reductive deoxygenation of aromatic ketones without additives". . p. 7743 - 7745. Retrieved 2005.
• 5、 Brunard, Erwan,Boquet, Vincent,Van Elslande, Elsa,Saget, Tanguy,Dauban, Philippe. "Catalytic Intermolecular C(sp3)-H Amination: Selective Functionalization of Tertiary C-H Bonds vs Activated Benzylic C-H Bonds". supporting information. p. 6407 - 6412. Retrieved 2021/05/29.