5-Chloro-1-(4-fluorophenyl)-1-oxopentane

Base Information

• Chemical Name: 5-Chloro-1-(4-fluorophenyl)-1-oxopentane
• CAS No.: 17135-46-5
• Molecular Formula: C11H12ClFO
• Molecular Weight: 214.667
• UNII: K39P4N9BVR
• DSSTox Substance ID: DTXSID40505680
• Wikidata: Q82360953
• Mol file: 17135-46-5.mol

Synonyms:17135-46-5;5-CHLORO-1-(4-FLUOROPHENYL)-1-OXOPENTANE;5-CHLORO-1-(4-FLUOROPHENYL)PENTAN-1-ONE;1-(4-fluorophenyl)-5-chloro-1-oxopentane;5-chloro-1-(4-fluorophenyl)-1-pentanone;MFCD01319941;K39P4N9BVR;SCHEMBL5663807;5-chloro-4'-fluorovalerophenone;DTXSID40505680;UGAKAFQJJSSKJM-UHFFFAOYSA-N;4-(p-Fluorobenzoyl)-1-chlorobutane;AKOS016019634;MS-20980;CS-0360757

Chemical Property of 5-Chloro-1-(4-fluorophenyl)-1-oxopentane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 316.948oC at 760 mmHg
• Flash Point: 145.485oC
• PSA: 17.07000
• Density: 1.154g/cm3
• LogP: 3.41750
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 214.0560709
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

5-Chloro-1-(4-fluorophenyl)-1-oxopentane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)CCCCCl)F

Technology Process of 5-Chloro-1-(4-fluorophenyl)-1-oxopentane

There total 3 articles about 5-Chloro-1-(4-fluorophenyl)-1-oxopentane 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: 90.0%

fluorobenzene (462-06-6) + 5-Chlorovaleroyl chloride (1575-61-7) → 1-(4-fluorophenyl)-5-chloro-1-oxopentane (17135-46-5)

Guidance literature:

fluorobenzene; With aluminum (III) chloride; In dichloromethane; at 0 ℃; for 0.5h;

5-Chlorovaleroyl chloride; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/acs.jmedchem.9b00864

Reference yield: 85.0%

1-fluoro-4-(1-hydroperoxycyclopentyl)benzene → 1-(4-fluorophenyl)-5-chloro-1-oxopentane (17135-46-5)

Guidance literature:

With copper(l) iodide; chloro-trimethyl-silane; triethylamine; In N,N-dimethyl-formamide; at 28 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tetlet.2021.153144

Reference yield: 76.0%

1-(4-fluorophenyl)cyclopentan-1-ol → 1-(4-fluorophenyl)-5-chloro-1-oxopentane (17135-46-5)

Guidance literature:

With 1,10-Phenanthroline; tert-butylhypochlorite; silver trifluoromethanesulfonate; In acetonitrile; at 20 ℃; for 48h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b03649

upstream raw materials:

fluorobenzene

5-Chlorovaleroyl chloride

Downstream raw materials:

3-(4-fluorophenyl)-4,5,6,7-tetrahydro-N-methyl-1H-1,2-diazepine-1-carbothioamide

4'-fluoro-5-[4-(α-hydroxy-α-phenylbenzyl)piperidino]-valerophenone hydrochloride