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

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-2-methylpropan-1-one
• CAS No.: 18713-58-1
• Molecular Formula: C10H11 Cl O
• Molecular Weight: 182.65
• Hs Code.: 2914700090
• European Community (EC) Number: 867-613-0
• DSSTox Substance ID: DTXSID20171983
• Nikkaji Number: J1.058.895B
• Wikidata: Q83042121
• Mol file: 18713-58-1.mol

Synonyms:18713-58-1;1-(4-chlorophenyl)-2-methylpropan-1-one;4'-CHLORO-2-METHYLPROPIOPHENONE;1-Propanone, 1-(4-chlorophenyl)-2-methyl-;p-Chloroisobutyrophenone;4'-Chloroisobutyrophenone;4-Chlorophenyl isopropyl ketone;p-Chlorophenyl isopropyl ketone;1-(4-Chlorophenyl)-2-methyl-1-propanone;Isopropyl-4-chlorophenyl ketone;4-chlorophenylisopropylketone;BRN 1448322;MFCD01696607;1-(4-chlorophenyl)-2-methyl-propan-1-one;4-07-00-00718 (Beilstein Handbook Reference);SCHEMBL2625462;DTXSID20171983;Propiophenone, 4'-chloro-2-methyl-;AKOS000346367;LS-122822;CS-0131581;FT-0637741;1-(4-Chloro-phenyl)-2-methyl-propan-1-one;EN300-49459;Y10212;A813120;Propiophenone, 4'-chloro-2-methyl- (6CI,7CI,8CI);Z385417200

Chemical Property of 1-(4-Chlorophenyl)-2-methylpropan-1-one

Chemical Property:

• Refractive Index: 1.5390 (estimate)
• Boiling Point: 264.1°Cat760mmHg
• Flash Point: 137°C
• PSA: 17.07000
• Density: 1.098g/cm³
• LogP: 3.17870
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(4-Chlorophenyl)-2-methylpropan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)C1=CC=C(C=C1)Cl

Technology Process of 1-(4-Chlorophenyl)-2-methylpropan-1-one

There total 37 articles about 1-(4-Chlorophenyl)-2-methylpropan-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: 97.0%

propane (74-98-6) + carbon monoxide (201230-82-2) + 4-chlorophenyltrimethylsilane (10557-71-8) → 1-(4-chlorophenyl)-2-methylpropan-1-one (18713-58-1)

Guidance literature:

With aluminum tri-bromide; carbon tetrabromide; In various solvent(s); at 0 ℃; for 0.5h;

DOI:10.1007/BF02498161

Reference yield: 95.0%

methanol (67-56-1) + 4'-chloropropiophenone (6285-05-8) → 1-(4-chlorophenyl)-2-methylpropan-1-one (18713-58-1)

Guidance literature:

With C₃₄H₂₇IrN₂P⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); caesium carbonate; at 65 ℃; for 24h; Inert atmosphere;

DOI:10.1002/chem.201405990

Reference yield: 91.0%

α-nitro-p-chloroisobutyrophenone (74261-44-2) → 1-(4-chlorophenyl)-2-methylpropan-1-one (18713-58-1)

Guidance literature:

With 1-Benzyl-1,4-dihydronicotinamide; In N,N-dimethyl-formamide; for 24h; Ambient temperature; Irradiation;

DOI:10.1021/ja00528a062

upstream raw materials:

4'-chloropropiophenone

ethyl 3-(4-chlorophenyl)-2,2-dimethyl-3-oxopropanoate

isobutyryl chloride

chlorobenzene

Downstream raw materials:

1-(4-chlorophenyl)-2-methyl-1-(2-pyridyl)-1-propanol

5-(4-chloro-phenyl)-4-methyl-[1,2]dithiol-3-thione

4-chloro-1-(2-methylpropyl)benzene

2-bromo-1-(4-chlorophenyl)-2-methylpropan-1-one

Refernces

• 1、 Ono, Noboru,Tamura, Rui,Kaji, Aritsune. "1-Benzyl-1,4-dihydronicotinamide as a Reagent for Replacing Aliphatic Nitro Groups by Hydrogen: An Electron-Transfer Chain Reaction". . p. 2851 - 2852. Retrieved 1980.
• 2、 Chen, Jiangfei,Zhu, Yan-Ping,Li, Jin-Heng,Wang, Qiu-An. "External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with: O -benzoylhydroxylamines". supporting information. p. 5215 - 5218. Retrieved 2021/05/31.
• 3、 Zhou, Fangyuan,Li, Lesong,Lin, Kao,Zhang, Feng,Deng, Guo-Jun,Gong, Hang. "Iron-Catalyzed Cleavage Reaction of Keto Acids with Aliphatic Aldehydes for the Synthesis of Ketones and Ketone Esters". supporting information. p. 4246 - 4250. Retrieved 2020/03/11.