4'-Fluoro-2'-methylacetophenone

Base Information

• Chemical Name: 4'-Fluoro-2'-methylacetophenone
• CAS No.: 446-29-7
• Molecular Formula: C9H9FO
• Molecular Weight: 152.168
• Hs Code.: 2914700090
• European Community (EC) Number: 670-258-2
• DSSTox Substance ID: DTXSID90393019
• Nikkaji Number: J1.114.681C
• Wikidata: Q72474310
• Mol file: 446-29-7.mol

Synonyms:4'-Fluoro-2'-methylacetophenone;446-29-7;1-(4-fluoro-2-methylphenyl)ethanone;4'-Fluoro-2'-methyacetophenone;1-(4-fluoro-2-methylphenyl)ethan-1-one;Ethanone, 1-(4-fluoro-2-methylphenyl)-;MFCD00028041;SCHEMBL1121927;DTXSID90393019;GCTZPACJEUDZAX-UHFFFAOYSA-N;BBL101633;CK1151;STL555429;AKOS005216293;AS-45835;CS-0138345;FT-0650178;4'-Fluoro-2'-Methylacetophenone, AldrichCPR;EN300-73205;Z1020765764

Chemical Property of 4'-Fluoro-2'-methylacetophenone

Chemical Property:

• Refractive Index: 1.5120
• Boiling Point: 218.9 °C at 760 mmHg
• Flash Point: 84 °C
• PSA: 17.07000
• Density: 1.075 g/cm³
• LogP: 2.33670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.063743068
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

4''-Fluoro-2''-methylacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)F)C(=O)C

Technology Process of 4'-Fluoro-2'-methylacetophenone

There total 7 articles about 4'-Fluoro-2'-methylacetophenone 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: 76.4%

m-Fluorotoluene (352-70-5) + acetyl chloride (75-36-5) → 1-(4-fluoro-2-methylphenyl)ethanone (446-29-7)

Guidance literature:

With aluminium trichloride; In carbon disulfide;

Reference yield: 73.0%

(RS)-1-(4-fluoro-2-methylphenyl)ethanol (700-34-5) → 1-(4-fluoro-2-methylphenyl)ethanone (446-29-7)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 25 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jm301187e

Reference yield: 49.0%

-butyl vinyl ether (111-34-2,92680-80-3) + 2-Bromo-5-fluorotoluene (452-63-1) → 1-(4-fluoro-2-methylphenyl)ethanone (446-29-7)

Guidance literature:

With potassium carbonate; 1,3-bis-(diphenylphosphino)propane; palladium diacetate; In DMF (N,N-dimethyl-formamide); at 80 ℃; for 48h;

upstream raw materials:

m-Fluorotoluene

acetyl chloride

acetic anhydride

-butyl vinyl ether

Downstream raw materials:

6-bromo-2-(4-fluoro-2-methyl-phenyl)-quinoline-4-carboxylic acid

4-fluoro-2-methyl-1-vinylbenzene

8-(butylamino)-7-(2-(butylimino)-2-(4-fluoro-2-methylphenyl)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione

C₁₉H₂₀FN₅O₂

Refernces

• 1、 Lafleur, Karine,Dong, Jing,Huang, Danzhi,Caflisch, Amedeo,Nevado, Cristina. "Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography". . p. 84 - 96. Retrieved 2013/02/23.
• 2、 Joshi, Krishna C.,Dubey, Kalpana,Dandia, Anshu. "FLUORINE CONTAINING BIOACTIVE HETEROCYCLES PART III : SYNTHESIS OF SOME NEW FLUORINE CONTAINING PHENYLGLYOXALS AND 1,2,4-TRIAZINE DERIVATIVES". . p. 1545 - 1553. Retrieved 2007/10/02.