1-(4-Chlorophenyl)-3-phenylpropan-2-one

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-phenylpropan-2-one
• CAS No.: 35730-03-1
• Molecular Formula: C15H13 Cl O
• Molecular Weight: 244.721
• NSC Number: 55903
• DSSTox Substance ID: DTXSID70288459
• Wikidata: Q82024871
• Mol file: 35730-03-1.mol

Synonyms:35730-03-1;1-(4-chlorophenyl)-3-phenylacetone;1-(4-chlorophenyl)-3-phenylpropan-2-one;NSC55903;2-Propanone,1-(4-chlorophenyl)-3-phenyl-;SCHEMBL8406795;DTXSID70288459;AM9767;NSC-55903;FT-0656982;1-(4-Chloro-phenyl)-3-phenyl-propan-2-one;N14156;A822959

Chemical Property of 1-(4-Chlorophenyl)-3-phenylpropan-2-one

Chemical Property:

• Vapor Pressure: 3.65E-05mmHg at 25°C
• Boiling Point: 353.2°C at 760 mmHg
• Flash Point: 202.9°C
• Density: 1.173g/cm³
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 244.0654927
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=O)CC2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-3-phenylpropan-2-one

There total 5 articles about 1-(4-Chlorophenyl)-3-phenylpropan-2-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:

4-chlorophenylacetic Acid (1878-66-6) → 1-(4-chlorophenyl)-3-phenyl-2-propanone (35730-03-1)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / Heating

2: 1.) Mg, iodine, cadmium chloride / 1.) ether, less than 10 deg C, 2 h, 2.) less 10 deg C, 6 h

With thionyl chloride; iodine; magnesium; cadmium(II) chloride;

DOI:10.1021/ja00345a031

Reference yield:

2-(4-chlorophenyl)-3-oxo-4-phenyl-butanenitrile (35741-47-0) → 1-(4-chlorophenyl)-3-phenyl-2-propanone (35730-03-1)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01631a050

Reference yield:

benzyl chloride (100-44-7) + 4-chlorophenacetyl chloride (25026-34-0) → 1-(4-chlorophenyl)-3-phenyl-2-propanone (35730-03-1)

Guidance literature:

With iodine; magnesium; cadmium(II) chloride; Yield given. Multistep reaction; 1.) ether, less than 10 deg C, 2 h, 2.) less 10 deg C, 6 h;

DOI:10.1021/ja00345a031

upstream raw materials:

2-(4-chlorophenyl)-3-oxo-4-phenyl-butanenitrile

benzyl chloride

4-chlorophenacetyl chloride

4-chlorophenylacetic Acid

Downstream raw materials:

1,2-bis(4-chlorophenyl)ethane

4-chlorobibenzyl

1,1'-(1,2-ethanediyl)bisbenzene

4,5-Diphenyl-2,3-bis-(p-chlor-phenyl)-(αβ)-cyclopentadien-(2,4)-on-(1)

Refernces

• 1、 Turro, Nicholas J.,Weed, Gregory C.. "Micellar Systems as ''Supercages'' for Reactions of Geminate Radical Pairs. Magnetic Effects". . p. 1861 - 1868. Retrieved 2007/10/02.