2'-Chloro-4'-fluoroacetophenone

Base Information

• Chemical Name: 2'-Chloro-4'-fluoroacetophenone
• CAS No.: 700-35-6
• Molecular Formula: C8H6ClFO
• Molecular Weight: 172.586
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70371411
• Nikkaji Number: J504.436G
• Wikidata: Q72450406
• Mol file: 700-35-6.mol

Synonyms:700-35-6;2'-CHLORO-4'-FLUOROACETOPHENONE;1-(2-chloro-4-fluorophenyl)ethanone;Ethanone, 1-(2-chloro-4-fluorophenyl)-;1-(2-Chloro-4-fluorophenyl)ethan-1-one;MFCD00042202;2-chloro-4-fluoracetophenone;SCHEMBL473969;4'-fluoro-2'-chloroacetophenone;DTXSID70371411;CSEMGLVHVZRXQF-UHFFFAOYSA-N;2'-Chloro-4'-fluoroacetophenone99;2\'-Chloro-4\'-fluoroacetophenone;AKOS001160394;AM62518;CS-W008455;DS-1752;PS-8657;SY047832;C2643;FT-0611756;EN300-14853;A19698;J-508734;Z107334162;2 inverted exclamation mark -Chloro-4 inverted exclamation mark -fluoroacetophenone

Chemical Property of 2'-Chloro-4'-fluoroacetophenone

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Vapor Pressure: 0.278mmHg at 25°C
• Refractive Index: 1.525
• Boiling Point: 203.4 °C at 760 mmHg
• Flash Point: 76.8 °C
• PSA: 17.07000
• Density: 1.258 g/cm³
• LogP: 2.68170
• Storage Temp.: Sealed in dry,Room Temperature
• 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% ^*data from raw suppliers

2''-Chloro-4''-fluoroacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 22-36/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=C(C=C1)F)Cl
• Uses: 2''-Chloro-4''-fluoroacetophenone

Technology Process of 2'-Chloro-4'-fluoroacetophenone

There total 5 articles about 2'-Chloro-4'-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: 98.42%

2-chloro-4-fluoro-N-methoxy-N-methylbenzamide + methylmagnesium bromide (75-16-1) → 2'-chloro-4'-fluoroacetophenone (700-35-6)

Guidance literature:

In tetrahydrofuran; at -78 - 0 ℃; for 5.5h;

Reference yield: 26.0%

1-(2-chloro-4-fluorophenyl)ethan-1-ol (112108-68-6,911218-03-6) → 2'-chloro-4'-fluoroacetophenone (700-35-6)

Guidance literature:

With bromopentacarbonylmanganese(I); N-methyl-N,N-di(2-pyridylmethyl)amine; acetone; sodium t-butanolate; In toluene; at 90 ℃; for 24h; Inert atmosphere; Schlenk technique; Darkness;

DOI:10.1039/c9cc07337j

Reference yield:

2-choro-4-fluorobenzoic acid (2252-51-9) → 2'-chloro-4'-fluoroacetophenone (700-35-6)

Guidance literature:

Multi-step reaction with 2 steps

1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / dichloromethane / 3 h / 15 °C

2: tetrahydrofuran / 5.5 h / -78 - 0 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; dichloromethane;

upstream raw materials:

3-chlorofluorobenzene

acetyl chloride

acetic anhydride

2-choro-4-fluorobenzoic acid

Downstream raw materials:

1-(2-Chloro-4-fluoro-phenyl)-3-diethylamino-propan-1-one; hydrochloride

2-chloro-4-fluorobenzoyltrifluoroacetone

1-(2-Chloro-4-fluoro-phenyl)-3-dimethylamino-propan-1-one; compound with oxalic acid

[5-(2-chloro-4-fluoro-phenyl)-thiazol-2-yl]-(4-chloro-phenyl)-amine

Refernces

• 1、 -. "VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS". . . Retrieved 2018/06/23.