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

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-1-phenylpropan-1-one
• CAS No.: 5739-39-9
• Molecular Formula: C15H13ClO
• Molecular Weight: 244.721
• Hs Code.: 2914700090
• NSC Number: 55904
• DSSTox Substance ID: DTXSID80288460
• Nikkaji Number: J724.193C
• Wikidata: Q82024872
• Mol file: 5739-39-9.mol

Synonyms:5739-39-9;3-(4-chlorophenyl)-1-phenylpropan-1-one;3-(4-CHLOROPHENYL)PROPIOPHENONE;3-(4-chlorophenyl)-1-phenyl-1-propanone;MFCD02065471;NSC55904;SCHEMBL659686;DTXSID80288460;beta-(4-Chlorophenyl)propiophenone;NSC 55904;NSC-55904;AKOS009392305;BP-20344;CS-0453835;F79895

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

Chemical Property:

• Vapor Pressure: 5.14E-06mmHg at 25°C
• Boiling Point: 381.3°C at 760 mmHg
• Flash Point: 213°C
• PSA: 17.07000
• Density: 1.164g/cm³
• LogP: 4.15550
• XLogP3: 4.1
• 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

3-(4-Chlorophenyl)-1-phenylpropan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CCC2=CC=C(C=C2)Cl

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

There total 59 articles about 3-(4-Chlorophenyl)-1-phenylpropan-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: 100.0%

1-Phenylethanol (98-85-1,13323-81-4) + para-Chlorobenzyl alcohol (873-76-7) → 3-(4-chlorophenyl)-1-phenylpropan-1-one (5739-39-9)

Guidance literature:

With Cu-Ag supported on hydrotalcite; In o-xylene; at 150 ℃; for 8h; Inert atmosphere;

DOI:10.1039/c5ra22542f

Reference yield: 100.0%

acetophenone (98-86-2) + para-Chlorobenzyl alcohol (873-76-7) → 3-(4-chlorophenyl)-1-phenylpropan-1-one (5739-39-9)

Guidance literature:

With titanium(IV) oxide; potassium hydroxide; In toluene; at 100 ℃; for 10h; Sealed tube; Irradiation;

DOI:10.1021/acscatal.9b04921

Reference yield: 99.0%

4-chlorochalcone (24721-26-4,956-04-7,22252-16-0) → 3-(4-chlorophenyl)-1-phenylpropan-1-one (5739-39-9)

Guidance literature:

With hydrogen; palladium; In methanol; at 20 ℃; for 21h;

DOI:10.1016/j.tet.2004.11.080

upstream raw materials:

2-(4-chlorobenzyl)-3-oxo-3-phenylpropionic acid ethyl ester

3-(4-chlorophenyl)propanoyl chloride

benzene

acetophenone

Downstream raw materials:

3-(4-chloro-benzyl)-2-phenyl-quinoline-4-carboxylic acid

2-bromo-3-(4-chlorophenyl)-1-phenylpropane-1-one

ethyl 5-(4-chlorophenyl)-3-phenylpent-2-enoate

ethyl 5-(4-chlorophenyl)-3-phenylpent-2-enoate

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