4'-Chloro-3'-fluoroacetophenone

Base Information

• Chemical Name: 4'-Chloro-3'-fluoroacetophenone
• CAS No.: 151945-84-5
• Molecular Formula: C₈H₆ClFO
• Molecular Weight: 172.586
• Hs Code.: 2914700090
• European Community (EC) Number: 642-511-7
• DSSTox Substance ID: DTXSID30396887
• Wikidata: Q72450385
• Mol file: 151945-84-5.mol

Synonyms:151945-84-5;4'-Chloro-3'-fluoroacetophenone;1-(4-chloro-3-fluorophenyl)ethanone;4-Chloro-3-fluoroacetophenone;Ethanone, 1-(4-chloro-3-fluorophenyl)-;MFCD04115858;3-fluoro-4-chloroacetophenone;1-(4-chloro-3-fluoro-phenyl)ethanone;1-(4-chloro-3-fluorophenyl)ethan-1-one;1-acetyl-4-chloro-3-fluorobenzene;SCHEMBL991621;DTXSID30396887;ATZHNDSADJDUPJ-UHFFFAOYSA-N;4-Acetyl-1-chloro-2-fluorobenzene;AKOS006345922;AC-3635;AM61786;CS-W017576;PS-11751;C3298;FT-0643479;A19700;EN300-119296;Z1201622912

Chemical Property of 4'-Chloro-3'-fluoroacetophenone

Chemical Property:

• Vapor Pressure: 0.0254mmHg at 25°C
• Melting Point: 41.0 to 45.0 °C
• Refractive Index: 1.512
• Boiling Point: 247.6 °C at 760 mmHg
• Flash Point: 103.5 °C
• PSA: 17.07000
• Density: 1.258 g/cm³
• LogP: 2.68170
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.0091207
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

4''-Chloro-3’-fluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=C(C=C1)Cl)F
• Uses: 4'-Chloro-3'-fluoroacetophenone is a halogenated benzene derivative used in organic synthesis.

Technology Process of 4'-Chloro-3'-fluoroacetophenone

There total 1 articles about 4'-Chloro-3'-fluoroacetophenone 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-chloro-3-fluorobenzaldehyde (5527-95-7) → 4-acetyl-1-chloro-2-fluorobenzene (151945-84-5)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran; toluene / -78 - 0 °C

2: pyridinium chlorochromate / dichloromethane / 0 - 20 °C

With pyridinium chlorochromate; In tetrahydrofuran; dichloromethane; toluene;

Reference yield: 50.0%

1,3-DIOXOLANE (646-06-0) + 4-acetyl-1-chloro-2-fluorobenzene (151945-84-5) + 1-(4-Nitrophenyl)piperazine (6269-89-2) → 1-(4-chloro-3-fluorophenyl)-3-(4-(4-nitrophenyl)piperazin-1-yl)propan-1-one

Guidance literature:

Acidic conditions; Reflux;

DOI:10.1021/acs.jmedchem.8b00468

Reference yield: 47.0%

4-acetyl-1-chloro-2-fluorobenzene (151945-84-5) + pivalaldehyde (630-19-3) + ethyl 2-cyanoacetate (105-56-6) → 4-tert-butyl-6-(4-chloro-3-fluorophenyl)-2-hydroxypyridine-3-carbonitrile

Guidance literature:

With ammonium acetate; In ethanol; at 80 ℃;

upstream raw materials:

4-chloro-3-fluorobenzaldehyde

Refernces