3-(3-Chlorophenyl)propiophenone

Base Information

• Chemical Name: 3-(3-Chlorophenyl)propiophenone
• CAS No.: 58122-03-5
• Molecular Formula: C15H13ClO
• Molecular Weight: 244.721
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID80350535
• Wikidata: Q82126527
• Mol file: 58122-03-5.mol

Synonyms:3-(3-CHLOROPHENYL)PROPIOPHENONE;58122-03-5;3-(3-chlorophenyl)-1-phenylpropan-1-one;MFCD02065472;SCHEMBL657718;DTXSID80350535;CADQEXRPDXILFP-UHFFFAOYSA-N;AKOS005931548;1-phenyl-3-(3-chlorophenyl)-1-propanone

Chemical Property of 3-(3-Chlorophenyl)propiophenone

Chemical Property:

• Vapor Pressure: 5.14E-06mmHg at 25°C
• Boiling Point: 381.3oC at 760 mmHg
• Flash Point: 213oC
• 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: 245

Purity/Quality:

97% ^*data from raw suppliers

3-(3-chlorophenyl)propiophenone 97% ^*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(=CC=C2)Cl

Technology Process of 3-(3-Chlorophenyl)propiophenone

There total 14 articles about 3-(3-Chlorophenyl)propiophenone 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: 94.0%

1-Phenylethanol (98-85-1,13323-81-4) + m-chlorobenzyl alcohol (873-63-2) → 3-(3-chlorophenyl)-1-phenylpropan-1-one (58122-03-5)

Guidance literature:

In para-xylene; at 120 ℃; for 8h; under 750.075 Torr; Inert atmosphere; Green chemistry;

DOI:10.1002/cssc.201200804

Reference yield: 89.0%

3-(3-chlorophenyl)-1-phenylprop-2-en-1-one (22966-13-8,72758-76-0,5328-73-4) → 3-(3-chlorophenyl)-1-phenylpropan-1-one (58122-03-5)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; silica gel; In toluene; at 70 ℃; for 17h; Inert atmosphere; Darkness;

DOI:10.1021/jm9001499

Reference yield: 87.0%

m-chlorobenzyl alcohol (873-63-2) + acetophenone (98-86-2) → 3-(3-chlorophenyl)-1-phenylpropan-1-one (58122-03-5)

Guidance literature:

With C₃₃H₄₀ClN₄Ru⁽¹⁺⁾*F₆P^(1-); potassium hydroxide; In toluene; at 120 ℃; Reagent/catalyst;

DOI:10.1002/cctc.202000254

upstream raw materials:

(Z)-3-(3-Chloro-phenyl)-2-methanesulfonyl-1-phenyl-propenone

3-(3-Chloro-phenyl)-2-methanesulfonyl-1-phenyl-propan-1-one

3-(3-chlorophenyl)-1-phenylprop-2-en-1-one

1-Phenylethanol

Downstream raw materials:

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

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

(2E)-3-(3-chlorophenyl)-1-phenylprop-2-en-1-one

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