1-(4-Isobutylphenyl)propan-1-one

Base Information

• Chemical Name: 1-(4-Isobutylphenyl)propan-1-one
• CAS No.: 59771-24-3
• Molecular Formula: C13H18 O
• Molecular Weight: 190.285
• Hs Code.: 2914399090
• European Community (EC) Number: 261-922-9
• DSSTox Substance ID: DTXSID40208503
• Nikkaji Number: J298.233A
• Wikidata: Q83082617
• Mol file: 59771-24-3.mol

Synonyms:1-(4-isobutylphenyl)propan-1-one;59771-24-3;4'-Isobutylpropiophenone;1-[4-(2-methylpropyl)phenyl]propan-1-one;p-isobutylpropiophenone;4'-Iso-butylpropiophenone;EINECS 261-922-9;4/'-Isobutylpropiophenone;SCHEMBL2140146;DTXSID40208503;BBL037635;MFCD00100435;STK502526;AKOS000200329;FS-5445;1-[4-(2-Methylpropyl)phenyl]-1-propanone;CS-0207342;FT-0605736;1-[4-(2-methylpropyl)-phenyl]-propan-1-one;F74419;1-[4-(2-methyl-propyl)-phenyl]-propan-1-one;J-503331

Chemical Property of 1-(4-Isobutylphenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.00268mmHg at 25°C
• Boiling Point: 286.2°C at 760 mmHg
• Flash Point: 116.9°C
• PSA: 17.07000
• Density: 0.934g/cm³
• LogP: 3.47780
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

98%Min ^*data from raw suppliers

4''-Isobutylpropiophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC=C(C=C1)CC(C)C
• Uses: 4'-Isobutylpropiophenone is a reagent used in the continuous-flow synthesis of Ibuprofen.

Technology Process of 1-(4-Isobutylphenyl)propan-1-one

There total 15 articles about 1-(4-Isobutylphenyl)propan-1-one 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: 99.2%

1-phenyl-2-methylpropane (538-93-2) + propionyl chloride (79-03-8) → 4-isobutylpropiophenone (59771-24-3)

Guidance literature:

propionyl chloride; With aluminium trichloride; In dichloromethane; at 0 ℃; for 0.5h;

1-phenyl-2-methylpropane; In dichloromethane; at 0 ℃; for 1h;

DOI:10.1248/cpb.49.799

Reference yield: 97.0%

p-isobutylpropiophenone dimethyl ketal (66202-89-9) → 4-isobutylpropiophenone (59771-24-3)

Guidance literature:

With lead(IV) acetate; In various solvent(s); at 25 ℃; for 25h;

Reference yield: 90.2%

10%-hydrochloric acid + 1-phenyl-2-methylpropane (538-93-2) → 4-isobutylpropiophenone (59771-24-3)

Guidance literature:

aluminium chloride; In dichloromethane; propionyl chloride;

upstream raw materials:

1-phenyl-2-methylpropane

propionyl chloride

2-chloro-1-(4-isobutyl-phenyl)1-propanone

2-bromo-1-(4'-isobutyl-phenyl)-propan-1-one

Downstream raw materials:

diphenyl N-<2-(4-isobutylphenyl)-1-pyrrolidinopropylidene>

1-(4-Isobutyl-phenyl)-2-phenylselanyl-propan-1-one

ibuprofen

(+/-)-ibuprofen methyl ester

Refernces

• 1、 -. "Synthesis method of silver aldehyde spice". Paragraph 0049-0055; 0074-0080. . Retrieved 2017/02/24.
• 2、 Malmedy, Florence,Wirth, Thomas. "Stereoselective Ketone Rearrangements with Hypervalent Iodine Reagents". supporting information. p. 16072 - 16077. Retrieved 2016/10/30.