1-(4-Chlorophenyl)-4-phenylbutan-1-one

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-4-phenylbutan-1-one
• CAS No.: 126314-18-9
• Molecular Formula: C16H15ClO
• Molecular Weight: 258.748
• DSSTox Substance ID: DTXSID70563213
• Nikkaji Number: J2.166.147C
• Wikidata: Q82447592
• Mol file: 126314-18-9.mol

Synonyms:1-(4-Chlorophenyl)-4-phenylbutan-1-one;126314-18-9;DTXSID70563213;AKOS006108031

Chemical Property of 1-(4-Chlorophenyl)-4-phenylbutan-1-one

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 258.0811428
• Heavy Atom Count: 18
• Complexity: 250

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCC(=O)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-4-phenylbutan-1-one

There total 7 articles about 1-(4-Chlorophenyl)-4-phenylbutan-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: 76.0%

(3-phenylpropyl)triphenylphosphonium bromide (7484-37-9) + 4-chloro-N-methoxy-N-methylbenzamide (122334-37-6) → 4-phenyl-1-(p-chlorophenyl)-1-butanone (126314-18-9)

Guidance literature:

(3-phenylpropyl)triphenylphosphonium bromide; With n-butyllithium; In tetrahydrofuran; hexane; at -15 ℃;

4-chloro-N-methoxy-N-methylbenzamide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; diethyl ether; hexane; at 20 ℃;

DOI:10.1021/ol050337b

Reference yield: 72.0%

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) + 4-chlorobenzoylmethylenetriphenylphosphorane (1777-56-6) → 4-phenyl-1-(p-chlorophenyl)-1-butanone (126314-18-9)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 10-methyl-9-(2,4,6-trimethylphenyl) acridinium tetrafluoroborate; thiophenol; In dichloromethane; regioselective reaction; Inert atmosphere; Irradiation;

DOI:10.1039/c8sc04195d

Reference yield: 33.0%

4-vinylbenzyl chloride (1073-67-2,24991-47-7) + 1,3-dioxoisoindolin-2-yl 3-phenylpropanoate (84379-71-5) → 4-phenyl-1-(p-chlorophenyl)-1-butanone (126314-18-9)

Guidance literature:

With fac-tris(2-phenylpyridinato-N,C₂')iridium(III); dimethyl sulfoxide; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.8b01268

upstream raw materials:

1-(4-chlorophenyl)-4-phenylbutan-1-ol

(3-phenylpropyl)triphenylphosphonium bromide

4-chloro-N-methoxy-N-methylbenzamide

4-chloro-benzoyl chloride

Downstream raw materials:

trans-1-(4-Chlorophenyl)-4-phenylbut-2-ene-1,4-dione

4-phenyl-1-(p-chlorophenyl)-2-butanone

4-phenyl-1-(p-chlorophenyl)-4-butanone