4-Chloro-1-(3-fluorophenyl)-1-oxobutane

Base Information

• Chemical Name: 4-Chloro-1-(3-fluorophenyl)-1-oxobutane
• CAS No.: 3110-52-9
• Molecular Formula: C10H10ClFO
• Molecular Weight: 200.64
• Hs Code.: 2914700090
• UNII: V4ZR7K4VVA
• DSSTox Substance ID: DTXSID80593384
• Wikidata: Q82487865
• Mol file: 3110-52-9.mol

Synonyms:4-CHLORO-1-(3-FLUOROPHENYL)-1-OXOBUTANE;3110-52-9;4-chloro-1-(3-fluorophenyl)butan-1-one;4-Chloro-1-(3-fluorophenyl)-1-butanone;MFCD02260552;V4ZR7K4VVA;SCHEMBL7648015;DTXSID80593384;Butyrophenone, 4-chloro-3'-fluoro-;AKOS015156700;DB-195394;1-Butanone, 4-chloro-1-(3-fluorophenyl)-;G76268

Chemical Property of 4-Chloro-1-(3-fluorophenyl)-1-oxobutane

Chemical Property:

• Vapor Pressure: 0.00175mmHg at 25°C
• Boiling Point: 293.2°C at 760 mmHg
• Flash Point: 131.1°C
• PSA: 17.07000
• Density: 1.183g/cm³
• LogP: 3.02740
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 200.0404208
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-1-(3-fluorophenyl)-1-oxobutane 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(=O)CCCCl

Technology Process of 4-Chloro-1-(3-fluorophenyl)-1-oxobutane

There total 2 articles about 4-Chloro-1-(3-fluorophenyl)-1-oxobutane 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: 60.0%

1-(4-chlorobut-1-yn-1-yl)-3-fluorobenzene (1183335-78-5) → 4-chloro-1-(3-fluorophenyl)butan-1-one (3110-52-9)

Guidance literature:

With water; bis(trifluoromethanesulfonyl)amide; In 1,4-dioxane; at 100 ℃;

DOI:10.1021/cs401075z

Reference yield:

→ 4-chloro-1-(3-fluorophenyl)butan-1-one (3110-52-9)

Guidance literature:

3-Fluorphenylmagnesiumbromid, Cl-(CH2)3-CN;

Reference yield: 58.0%

4-chloro-1-(3-fluorophenyl)butan-1-one (3110-52-9) → 2-((4-(3-Fluorophenyl)-4-oxobutyl))-1,2,3,4-tetrahydroisoquinoline

Guidance literature:

upstream raw materials:

1-(4-chlorobut-1-yn-1-yl)-3-fluorobenzene

Downstream raw materials:

1,3-Dihydro-2-((4-(3-Fluorophenyl)-4-Oxobutyl)) Isoindole

4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(3-fluorophenyl)butan-1-one