[ CAS No. 29427-48-3 ] {[proInfo.proName]}

Name: 29427-48-3|1-(2-Fluoro-4-methylphenyl)ethanone|98%
Brand: Ambeed
SKU: A186416
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Quality Control of [ 29427-48-3 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 29427-48-3 ]

SDS Specification

Alternatived Products of [ 29427-48-3 ]

Product Details of [ 29427-48-3 ]

CAS No. :	29427-48-3	MDL No. :	MFCD03094331
Formula :	C₉H₉FO	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IBABHBXTLZNGAV-UHFFFAOYSA-N
M.W :	152.17	Pubchem ID :	2778484
Synonyms :

Safety of [ 29427-48-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 29427-48-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 29427-48-3 ]
Downstream synthetic route of [ 29427-48-3 ]

[ 29427-48-3 ] Synthesis Path-Upstream 1~1

1
[ 452-74-4 ]
[ 97674-02-7 ]
[ 29427-48-3 ]

Reference： [1] Patent: EP1382603, 2004, A1, . Location in patent: Page 109; 110

[ 29427-48-3 ] Synthesis Path-Downstream 1~30

2
[ 29427-48-3 ]
[ 109-94-4 ]
[ 1019025-86-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 6058 - 6062

3
[ 29427-48-3 ]
[ 918884-78-3 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 6058 - 6062

4
[ 29427-48-3 ]
2-<i>tert</i>-butyl-5-(2-fluoro-4-methyl-phenyl)-isoxazol-2-ium; perchlorate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2006,vol. 16,p. 6058 - 6062

5
[ 452-74-4 ]
[ 97674-02-7 ]
[ 29427-48-3 ]

Yield	Reaction Conditions	Operation in experiment
		Production Example 186 3-(2-Fluoro-4-methylphenyl)-1H-pyrazole 54 ML solution of 5.0 g 1-bromo-2-fluoro-4-methylbenzene, 10 g tributyl(1-ethoxyvinyl)tin and 1.53 g tetrakis(triphenylphosphine) palladium in toluene was heated at 120C for 2 hours.. After cooling to room temperature, the reaction mixture was diluted with ethyl acetate, 10% aqueous potassium fluoride solution was added thereto and stirred for 30 minutes, and formed insolubles were filtered off through Celite. The organic layerwaswashedwith water, thenhydrolyzed by vigorously stirring it together with 5 N aqueous hydrochloric acid, and the organic layer was further washed with water and brine.. The solution was dried over anhydrous sodium sulfate, then the solvent was removed, and the resulting residue was purified by silica gel column chromatography (hexane/ethyl acetate) to give 4.61 g of 2'-fluoro-4'-methylacetophenone (yellow oil) as a crude product.. From 4.61 g crude 2'-fluoro-4'-methylacetophenone, 4.1 g of the title compound (yellow oil) was obtained by the same method as in Production Example 3.1H-NMR (CDCl3) delta: 2.32(d, J=1.2Hz, 3H), 6.56(d, J=2.4Hz, 1H), 7.04(dd, J=8.8, 8.8Hz, 1H), 7.39-7.45 (m, 1H), 7.50-7.57 (m, 1H), 7.61 (d, J=2.4Hz, 1H)

Reference： [1]Patent: EP1382603,2004,A1 .Location in patent: Page 109; 110

6
[ 29427-48-3 ]
[ 1184949-27-6 ]

Yield	Reaction Conditions	Operation in experiment
59%	With N-Bromosuccinimide; In tetrachloromethane; for 2h;Reflux; Irradiating with Hg lamp;	A solution of <strong>[29427-48-3]2-fluoro-4-methylacetophenone</strong> (17.6 g, 112 mmol) and N-bromosuccinimide (21.6 g, 178 mmol) in tetrachloromethane (150 mt_) is refluxed for 2 h while irradiating with a Hg lamp. After filtration, the reaction mixture is adsorbed onto silica gel and purified chromatographically (silica gel, 10% ethyl acetate in hexanes). Yield: 15.7 g (59% of theory); ESI Mass spectrum: [M+H]+ = 231/233.

Reference： [1]Patent: WO2009/103478,2009,A1 .Location in patent: Page/Page column 39

7
[ 29427-48-3 ]
[ 1232892-63-5 ]

Yield	Reaction Conditions	Operation in experiment
	With copper(II) nitrate; trifluoroacetic anhydride; In chloroform; at 20 - 60℃;	Preparation 3; 3-(5-Amino-2-fluoro-4-methyl-phenyl)-5-methyl-pyrazole-1-carboxylic acid benzyl ester; The synthetic procedure used in this preparation is outlined in Scheme C. Step 1; 1-(2-Fluoro-4-methyl-5-nitro-phenyl)-ethanone; Copper (II) nitrate (3.175 g) was added portion wise to a room temperature solution of <strong>[29427-48-3]1-(2-fluoro-4-methyl-phenyl)-ethanone</strong> (2.74 g) in chloroform (30 ml) and Trifluoroacetic anhydride. The mixture was heated at 60 C. for 30 minutes then cooled to room temperature and added to ice. The mixture was extracted with methylene chloride, and the organic layer was washed with water and brine, dried (Na2SO4), filtered and concentrated under reduced pressure to give 3.17 g of 1-(2-Fluoro-4-methyl-5-nitro-phenyl)-ethanone as a reddish oil, which was used directly without further purification.
	With copper(II) nitrate; trifluoroacetic anhydride; In chloroform; at 20 - 60℃;	Copper (II) nitrate (3.175 g) was added portion wise to a room temperature solution of <strong>[29427-48-3]1-(2-fluoro-4-methyl-phenyl)-ethanone</strong> (2.74 g) in chloroform (30 ml) and Trifluoroacetic anhydride. The mixture was heated at 60 C. for 30 minutes then cooled to room temperature and added to ice. The mixture was extracted with methylene chloride, and the organic layer was washed with water and brine, dried (Na2SO4), filtered and concentrated under reduced pressure to give 3.17 g of 1-(2-Fluoro-4-methyl-5-nitro-phenyl)-ethanone as a reddish oil, which was used directly without further purification.

Reference： [1]Patent: US2010/160384,2010,A1 .Location in patent: Page/Page column 57
[2]Patent: US2011/28502,2011,A1 .Location in patent: Page/Page column 45-46

8
[ 91-21-4 ]
[ 29427-48-3 ]
3-methyl-11b,12-dihydro-6H-isoquinolino[2,1-a]quinolin-13(7H)-one [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2013,vol. 355,p. 874 - 879

9
[ 91-21-4 ]
[ 29427-48-3 ]
[ 1431705-43-9 ]

Reference： [1]Advanced Synthesis and Catalysis,2013,vol. 355,p. 874 - 879
[2]Organic Letters,2013,vol. 15,p. 2394 - 2397

10
[ 1745-07-9 ]
[ 29427-48-3 ]
9,10-dimethoxy-3-methyl-11b,12-dihydro-6H-isoquinolino[2,1-a]quinolin-13(7H)-one [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2013,vol. 355,p. 874 - 879

11
[ 1745-07-9 ]
[ 29427-48-3 ]
1-(2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-methylphenyl)ethanone [ No CAS ]

Reference： [1]Advanced Synthesis and Catalysis,2013,vol. 355,p. 874 - 879

12
[ 29427-48-3 ]
[ 1431285-42-5 ]

Reference： [1]Patent: WO2013/63282,2013,A1

13
[ 29427-48-3 ]
[ 1431277-64-3 ]

Reference： [1]Patent: WO2013/63282,2013,A1

14
[ 29427-48-3 ]
[ 40594-29-4 ]
[ 1431285-41-4 ]

Yield	Reaction Conditions	Operation in experiment
7.417 g	With sodium acetate; In ethanol; for 18h;	Step A: Preparation of l-(2-fluoro-4-methylphenyl)ethanone 2-(2,4- difluorophenyl)hydrazoneTo a solution of <strong>[29427-48-3]2-fluoro-4-methylacetophenone</strong> (4.210 g, 27.70 mmol) in ethanol (200 mL) was added 2,4-difluorophenyl hydrazine HC1 salt (5.0 g, 28 mmol). To this reaction mixture was added sodium acetate (2.044, 24.93 mmol) in one portion. This reaction mixture was stirred for 18 hours, after which time the volatile materials were removed under reduced pressure, and the resulting crude reaction mixture was added to water (100 mL) and extracted with diethyl ether (3 x 200 mL). The organic extracts were combined, dried (MgSC"4), evaporated under reduced pressure, and the solid residue was purified by chromatography on silica gel (ethyl acetate/hexanes) to afford the title compound as a solid (7.417 g). lH NMR (CDCI3) delta 7.49-7.56 (m, 2H), 7.34 (br s, NH) 6.97 (d, 1H), 6.80-6.91 (m, 3H), 2.37 (s, 3H), 2.28 (s, 3H).

Reference： [1]Patent: WO2013/63282,2013,A1 .Location in patent: Page/Page column 43; 44

15
[ 91-21-4 ]
[ 29427-48-3 ]
[ 1431705-54-2 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 2394 - 2397

16
[ 29427-48-3 ]
2-bromo-1-(2-fluoro-4-methylphenyl)ethanone [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
0.72 g		To a chloroform (7.5 mL) solution of <strong>[29427-48-3]1-(2-fluoro-4-methylphenyl)ethanone</strong> (0.50 g), under ice cooling in a nitrogen atmosphere, 2,6-lutidine (0.65 mL) and trimethylsilyl trifluoromethanesulfonate (0.71 mL) were added, and the resultant was stirred for 30 minutes. Then, N-bromosuccinimide (0.64 g) was added thereto, and the resultant was stirred for 30 minutes under ice cooling. Water was added to the reaction solution, and the resultant was stirred for 10 minutes, followed by extraction with chloroform. An organic layer was separated using a phase separator, and the solvent was distilled off under reduced pressure. The obtained residue was purified by silica gel column chromatography (OH-type silica gel; hexane/ethyl acetate-gradient elution=99/1?95/5) to obtain the title compound (0.72 g) as a white solid.1H NMR (600 MHz, CHLOROFORM-d) deltappm 2.42 (3H, s), 4.50 (2H, d, J=2.1 Hz), 6.95-7.00 (1H, m), 7.04-7.10 (1H, m), 7.85 (1H, t, J=7.8 Hz)

Reference： [1]Patent: US2014/155597,2014,A1 .Location in patent: Paragraph 0315; 0316; 0317

17
[ 1204-86-0 ]
[ 29427-48-3 ]
C₂₀H₂₀FNO₂ [ No CAS ]

Reference： [1]RSC Advances,2015,vol. 5,p. 24997 - 25005

18
[ 7570-45-8 ]
[ 29427-48-3 ]
(E)-3-(9-ethyl-9H-carbazol-3-yl)-1-(2-fluoro-4-methylphenyl)prop-2-en-1-one [ No CAS ]