2195-47-3|(4-Fluorophenyl)(4-nitrophenyl)methanone| Ambeed

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Quality Control of [ 2195-47-3 ] Purity: 98% SDS Specification

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Product Details of [ 2195-47-3 ]

CAS No. :	2195-47-3
Formula :	C₁₃H₈FNO₃
M.W :	245.21
SMILES Code :	O=C(C1=CC=C(F)C=C1)C2=CC=C([N+]([O-])=O)C=C2
MDL No. :	MFCD00053428
InChI Key :	ICDAYOOBGHYICW-UHFFFAOYSA-N
Pubchem ID :	97658

Safety of [ 2195-47-3 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H317-H319
Precautionary Statements:	P280-P305+P351+P338

Application In Synthesis of [ 2195-47-3 ]

* 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.

Downstream synthetic route of [ 2195-47-3 ]

[ 2195-47-3 ] Synthesis Path-Downstream 1~41

1
[ 2195-47-3 ]
(4-Fluoro-phenyl)-(4-nitro-phenyl)-methanone oxime [ No CAS ]

References: [1]Farmaco, Edizione Scientifica,1987,vol. 42,p. 117 - 124.

2
[ 462-06-6 ]
[ 122-04-3 ]
[ 2195-47-3 ]

Yield	Reaction Conditions	Operation in experiment
82%	With hydrogenchloride;aluminium trichloride; In carbon disulfide;	Step 1 Aluminum chloride (26.0 g, 195 mmol) was added in portions to a solution of 4-nitrobenzoyl chloride (27.8 g, 150 mL) and 4-fluorobenzene (15.8 g, 165 mmol) in carbon disulfide (100 mL). After 1 hour, the resulting yellow mixture was carefully treated with concentrated hydrochloric acid (60 mL) and stirred for 30 minutes. The mixture was then diluted with water and extracted with ethyl acetate. The organic layer was washed with dilute sodium hydroxide solution, water and brine, dried (MgSO4), and the solvent removed in vacuo. Crystallization from ethyl ether/hexanes gave 4-(4-fluorobenzoyl)-nitrobenzene (10.6 g, 82%) as a white solid, m.p. 87-88 C.; Analysis for C13H8NO3F: Calc.: C, 63.69; H, 3.26; N, 5.71: Found: C, 63.89; H, 3.28; N, 5.78.
65%	With aluminum (III) chloride; In Nitroethane; at 20℃; for 4h;	Intermediate 20 : Preparation of 4- (4-fluoro-benzyl)-phenylamine; Step 1. Preparation of (4-fluoro-phenyl)- (4-nitrophenyl)-methanone; To a solution of 4-nitrobenzoyl chloride (2.3 g, 13 mmol) in nitroethane (20 mL) was added aluminum chloride (3.5 g, 26 mmol) followed by fluorobenzene (1.2 mL, 13 mmol). The mixture was stirred at rt for 4 h, then quenched carefully with 6M HC1. The reaction mixture was washed with dilute aqueous NaOH and brine, dried over sodium sulfate, filtered, and concentrated in vacuo to provide the crude product as a light yellow solid. The solid was purified by recrystallization from hexanes to give (4-fluoro-phenyl) - (4- nitrophenyl) -methanone (2.0 g, 65%).'H NMR (CHC13-d) 8 8. 41-8. 32 (m, 5H), 7.90 (m, 1H), 7.84 (m, 1H), 7.20 (m, 1H).
65%	With aluminum (III) chloride; In Nitroethane; at 20℃; for 4h;	To a solution of 4-nitrobenzoyl chloride (2.3 g, 13 mmol) in nitroethane (20 mL) was added aluminum chloride (3.5 g, 26 mmol) followed by fluorobenzene (1.2 mL, 13 mmol). The mixture was stirred at rt for 4 h, then quenched carefully with 6M HCl. The reaction mixture was washed with dilute aqueous NaOH and brine, dried over sodium sulfate, filtered, and concentrated in vacuo to provide the crude product as a light yellow solid. The solid was purified by recrystallization from hexanes to give (4-fluoro-phenyl)- (4- nitrophenyl)-methanone (2.0 g, 65%). 1H NMR (CHCl3-J) δ 8.41-8.32 (m, 5H), 7.90 (m, IH), 7.84 (m, IH), 7.20 (m, IH).

40%

To a stirred solution of A1C13 (13.9 g, 104.1 mmol) in DCM (150 mL), 4-nitrobenzoyl chloride (IR, 14.5 g, 78.1 mmol) was added at 0C and stirred at RT for 1H. To the resulting reaction mixture, fluorobenzene (CV, 5.0 g, 52.0 mmol) was added and the reaction was stirred at RT for 2 h. The progress of the reaction was monitored by TLC. After completion of the reaction, the reaction mixture was quenched with IN HCl solution, neutralized with 2N NaOH solution and the product was extracted with EtOAc. The combined organic layer was washed with brine, dried over anhydrous Na2S04 and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography using 10% EtOAc/hexane to afford IS (5.0 g, 40.0%) as an off-white solid. 1H NMR (400 MHz, DMSO-d6): _ 8.38 (d, 7 = 8.8 Hz, 2H), 7.96 (d, 7 = 8.8 Hz, 2H), 7.89- 7.86 (m, 2H), 7.46 - 7.41 (m, 2H).

References: [1]Journal of Fluorine Chemistry,1994,vol. 67,p. 41 - 46.
[2]Pesticide Science,1995,vol. 45,p. 227 - 236.
[3]Tetrahedron Letters,2009,vol. 50,p. 446 - 447.
[4]Patent: US6184242,2001,B2 .
[5]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 8493 - 8500.
[6]Patent: WO2005/35507,2005,A2 .Location in patent: Page/Page column 60-61.
[7]Patent: WO2006/99231,2006,A1 .Location in patent: Page/Page column 46.
[8]Journal of Medicinal Chemistry,1991,vol. 34,p. 1552 - 1560.
[9]Patent: WO2018/165520,2018,A1 .Location in patent: Page/Page column 239-240.

3
[ 2195-47-3 ]
[ 111-42-2 ]
[ 133041-71-1 ]

References: [1]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 8493 - 8500.
[2]Journal of Medicinal Chemistry,1991,vol. 34,p. 1552 - 1560.

4
[ 2195-47-3 ]
[ 347-82-0 ]

References: [1]Journal of Fluorine Chemistry,1994,vol. 67,p. 41 - 46.

5
[ 2195-47-3 ]
[ 1779-49-3 ]
[ 38695-20-4 ]

References: [1]Journal of the Chemical Society. Perkin transactions II,1972,p. 1988 - 1995.

6
[ 2195-47-3 ]
[ 38695-21-5 ]

References: [1]Journal of the Chemical Society. Perkin transactions II,1972,p. 1988 - 1995.

7
[ 1817-74-9 ]
[ 2195-47-3 ]
[ 345-92-6 ]

References: [1]Journal of Fluorine Chemistry,1998,vol. 92,p. 127 - 129.

8
[ 2195-47-3 ]
[ 10055-40-0 ]

Yield	Reaction Conditions	Operation in experiment
92%	With iron; ammonium chloride; In Isopropyl acetate; at 80℃; for 3h;	To a stirred solution of compound IS (5.0 g, 20.0 mmol) in IPA (30 mL), iron powder (5.7 g, 102.0 mmol) and NH4C1 (5.5 g, 102.0 mmol) in water (30 mL) were added and the reaction was stirred at 80C for 3 h. The progress of the reaction was monitored by TLC. After completion of the reaction, the reaction mixture was filtered and the filtrate was concentrated under reduced pressure. The residue was diluted with water and the product was extracted with EtOAc. The combined organic layer was washed with brine, dried over anhydrous Na2S04 and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography using 10% EtOAc/hexane to afford IT (4.0 g, 92.0%) as a light yellow semisolid. 1H NMR (400 MHz, DMSO-d6): _ 7.69 - 7.65 (m, 2H), 7.51 (d, 7 = 8.8 Hz, 2H), 7.34- 7.30 (m, 2H), 6.60 (d, 7 = 8.8 Hz, 2H), 6.17 (s, 2H).

References: [1]Patent: WO2018/165520,2018,A1 .Location in patent: Page/Page column 240.
[2]Bioorganic and Medicinal Chemistry,2010,vol. 18,p. 8493 - 8500.
[3]Pesticide Science,1995,vol. 45,p. 227 - 236.

Yield	Reaction Conditions	Operation in experiment
		...presented by the following formula (4) which can respectively correspond to the formula (1) can be obtained. (D) Fluorine substituted aromatic compound represented by the formula (4) corresponding to the hydroxy compound wherein X1 is a substituent of the group (a) in the formula(1): ... 2,2'-difluorobenzophenone, 2,3'-difluorobenzophenone, 2,4'-difluorobenzophenone, 3,3'-difluorobenzophenone, 3,4'-difluorobenzophenone, 4,4'-difluorobenzophenone, 4-methyl-4'-fluorobenzophenone, 4-methoxy-4'-fluorobenzophenone, 4-phenyl-4'-fluorobenzophenone, 4-nitro-4'-fluorobenzophenone, 4-cyano-4'-fluorobenzophenone, 4-chloro-4'-fluorobenzophenone, 4-bromo-4'-fluorobenzophenone, 4-acetyl-4'-fluorobenzophenone, 4-benzoyl-4'-fluorobenzophenone, 4-trifluoromethyl-4'-fluorobenzophenone, ...

10
[ 2195-47-3 ]
1-(2,6-dichloro-benzoyl)-3-[4-(4-fluoro-benzoyl)-phenyl]-urea [ No CAS ]

References: [1]Pesticide Science,1995,vol. 45,p. 227 - 236.

11
[ 2195-47-3 ]
1-(2,6-difluoro-benzoyl)-3-[4-(4-fluoro-benzoyl)-phenyl]-urea [ No CAS ]

References: [1]Pesticide Science,1995,vol. 45,p. 227 - 236.

12
[ 101-81-5 ]
<(2Z,4E)-2,4-hexadiene>Fe(CO3) complex [ No CAS ]
[ 2195-47-3 ]