177211-26-6

Basic information

• Product Name: 4'-CHLORO-2'-FLUORO-5'-METHYLACETOPHENONE
• Synonyms: 1-(4-Chloro-2-fluoro-5-methylphenyl)ethan-1-one, 5-Acetyl-2-chloro-4-fluorotoluene;1-(4-Chloro-2-fluoro-5-Methylphenyl)ethanone;5'-chloro-2'-fluoro-4'-Methylacetophenone;4'-Chloro-2'-fluoro-5'-Methylacetophenone (>90%);1-(4-Chloro-2-fluoro-5-methylphenyl)
• CAS NO: 177211-26-6
• Molecular Formula: C₉H₈ClFO
• Molecular Weight: 186.61
• Mol File: 177211-26-6.mol

Chemical Properties

• Boiling Point: 258.4°C at 760 mmHg
• Flash Point: 110.1°C
• Appearance: /
• Density: 1.216g/cm³
• Vapor Pressure: 0.0138mmHg at 25°C
• Refractive Index: 1.511
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
• CAS DataBase Reference: 4'-CHLORO-2'-FLUORO-5'-METHYLACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 4'-CHLORO-2'-FLUORO-5'-METHYLACETOPHENONE(177211-26-6)
• EPA Substance Registry System: 4'-CHLORO-2'-FLUORO-5'-METHYLACETOPHENONE(177211-26-6)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 177211-26-6(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
4'-Chloro-2'-fluoro-5'-methylacetophenone is used as a reagent in the synthesis of 3-Aryl-5-hydroxyl-5-trifluoromethylisoxazolines. These compounds are important intermediates in the production of protox-inhibiting herbicides, which are widely used in agriculture to control the growth of unwanted plants and weeds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4'-chloro-2'-fluoro-5'-methylacetophenone may be utilized as a key intermediate in the development of new drugs or drug candidates. Its unique molecular structure can be exploited to create novel compounds with potential therapeutic applications, such as in the treatment of various diseases or conditions.
Used in Research and Development:
4'-Chloro-2'-fluoro-5'-methylacetophenone can also be employed in research and development settings, where it may be used to study the effects of different functional groups on the properties and reactivity of organic compounds. This can lead to a better understanding of the underlying chemical principles and contribute to the discovery of new synthetic routes and methodologies.

InChI:InChI=1/C9H8ClFO/c1-5-3-7(6(2)12)9(11)4-8(5)10/h3-4H,1-2H3

Upstream product

• 452-73-3 2-chloro-4-fluorotoluene 
• 75-36-5 acetyl chloride 

Downstream Products

• 177211-31-3 4-chloro-2-fluoro-5-methylbenzoic acid 
• 757245-87-7 tert-butyl 4-(2-acetyl-5-chloro-4-methylphenyl)piperazine-1-carboxylate 
• 174514-08-0 5-[4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-yl]-2-chloro-4-fluorobenzoic acid 
• 200624-30-2 5-(4-bromo-1-methyl-5-trifluoromethyl-1H-pyrazol-3-yl)-2-chloro-4-fluoro-benzoyl chloride 
• 177489-17-7 2-chloro-4-fluoro-5-(1-methyl-5-trifluoromethyl-1H-pyrazol-3-yl)-benzoic acid 
• 142623-96-9 1-(4-chloro-2-fluoro-5-methylphenyl [ring-14C(U)])-5-(trifluoromethyl)-1H-pyrazole 
• 142623-48-1 1-(4-chloro-2-fluoro-5-methylphenyl [ring-14C(U)])-1-methyl-5-(trifluoromethyl)-1H-pyrazole 
• 177211-21-1 1-(4-chloro-2-fluoro-5-methylphenyl [ring-14C(U)])-4,4,4-trifluoro-1,3-butanedione 

Relevant articles and documents

ACYLATED PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS

Certain novel N-acylated piperazine derivatives are agonists of the human melanocortin receptor(s) and, in particular, are selective agonists of the human melanocortin-4 receptor (MC-4R). They are therefore useful for the treatment, control, or prevention

The radiolabeled syntheses of JV 485, a herbicide candidate for winter wheat

JV 485 [14C-Ph] and JV 485 [14C-Py] were synthesized in seven steps in 35% and 44% overall yields, respectively, utilizing the same reaction schemes. The key step in each of the syntheses is a one pot Mid-Century Oxidation (1) of an aromatic methyl group to a carboxylic acid. The 14C radiolabeled syntheses of two isolated metabolites of JV 485 were also completed. Preparation of the JV 485 [phenyl-14C(U)] amide was completed in 62% yield from 2-chloro-5-[4-bromo-1-methyl-5-trifluoromethyl)-1H-pyrazol-3-yl]-4-fluorobenzoic acid [ring-14C(U)], 9. Preparation of the JV 485 [phenyl-14C(U)] desmethyl acid 13 was accomplished in 18% overall yield in four steps from 3-(4-chloro-2-fluoro-5-methylphenyl [ring-14C(U)])-5-(trifluoromethyl)-1H-pyrazole, 4.

Substituted 3-phenylisoxazolines

PCT No. PCT/EP98/04489 Sec. 371 Date Jan. 21, 2000 Sec. 102(e) Date Jan. 21, 2000 PCT Filed Jul. 20, 1998 PCT Pub. No. WO99/05130 PCT Pub. Date Feb. 4, 1999Substituted 3-phenylisoxazolines I, and their salts and enol ethers, are described as herbicides where X=-O-, -S-, -N(R9)-; R1=CN, C1-C4-alkyl, C1-C4-haloalkyl, C1-C4-haloalkoxy, C1-C4-alkylsulfonyl; R2=H or unsubstituted or substituted C1-C6-alkyl, (C1-C6-alkyl)carbonyl, C1-C6-alkylsulfonyl, C2-C6-alkenyl, (C2-C6-alkenyl)carbonyl, C2-C6-alkynyl, (C2-C6-alkynyl)carbonyl; R3=H, halogen; R4=CN, halogen, C1-C3-haloalkyl; R5=H, CN, halogen, C1-C3-haloalkyl; R6=H, CN, halogen, C1-C3-haloalkyl or unsubstituted or substituted C1-C6-alkoxy; R7=CN, halogen; R8 in position alpha , R7 in this case being in position beta , or in position beta , R7 in this case being in position alpha , is 1) H, OH, SH, CN, NO2, halogen, C1-C6-alkyl, C1-C6-haloalkyl, C1-C6-haloalkoxy, C1-C6-haloalkylthio, C1-C6-alkylthio-(C1-C6-alkyl)carbonyl, (C1-C6-alkyl)iminooxycarbonyl, C1-C6-alkoxy-C1-C6-alkyl, C1-C6-alkoxyamino-C1-C6-alkyl, C1-C6-alkoxy-C1-C6-alkylamino-C1-C6-alkyl, 2) unsubstituted or substituted C1-C6-alkoxy, C1-C6-alkylthio, C3-C6-cycloalkoxy, C3-C6-cycloalkylthio, C2-C6-alkenyloxy, C2-C6-alkenylthio, C2-C6-alkynyloxy, C2-C6-alkynylthio, (C1-C6-alkyl)carbonyloxy, (C1-C6-alkyl)carbonylthio, (C1-C6-alkoxy)carboxyloxy, (C2-C6-alkenyl)carbonyloxy, (C2-C6-alkenyl)carbonylthio, (C2-C6-alkynyl)carbonyloxy, (C2-C6-alkynyl)carbonylthio, C1-C6-alkylsulfonyloxy or C1-C6-alkylsulfonyl, 3) 29 further radicals; R9=H, C1-C6-alkyl, C3-C6-cycloalkyl, C3-C6-alkenyl, C3-C6-alkynyl, C1-C6-alkoxy-C1-C6-alkyl, (C1-C6-alkoxy)carbonyl-C1-C6-alkyl, (C3-C6-alkenyloxy)carbonyl-C1-C6-alkyl, unsubstituted or substituted phenyl or phenyl-C1-C6-alkyl.