747392-34-3|2-Bromo-5-fluorobenzylamine| Ambeed

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Quality Control of [ 747392-34-3 ] Purity: 98% SDS Specification

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Product Details of [ 747392-34-3 ]

CAS No. :	747392-34-3
Formula :	C₇H₇BrFN
M.W :	204.04
SMILES Code :	NCC1=C(Br)C=CC(F)=C1
MDL No. :	MFCD06212850
Boiling Point :	No data available
InChI Key :	HEVQVBQUMCXTJO-UHFFFAOYSA-N
Pubchem ID :	2773357

Safety of [ 747392-34-3 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P305+P351+P338

Application In Synthesis of [ 747392-34-3 ]

* 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 [ 747392-34-3 ]

[ 747392-34-3 ] Synthesis Path-Downstream 1~35

1
[ 747392-34-3 ]
[ 10439-23-3 ]
[ 880104-97-2 ]

References: [1]Angewandte Chemie - International Edition,2006,vol. 45,p. 633 - 637.
[2]Chemistry - A European Journal,2009,vol. 15,p. 10225 - 10232.

2
[ 747392-34-3 ]
[ 31562-43-3 ]
2-methyl-propane-2-sulfinic acid 2-bromo-5-fluoro-benzylamide [ No CAS ]

References: [1]Angewandte Chemie - International Edition,2006,vol. 45,p. 633 - 637.
[2]Chemistry - A European Journal,2009,vol. 15,p. 10225 - 10232.

3
[ 747392-34-3 ]
5-fluoro-2,3-dihydro-benzo[<i>d</i>]isothiazole 1-oxide [ No CAS ]

References: [1]Angewandte Chemie - International Edition,2006,vol. 45,p. 633 - 637.

4
[ 1198105-01-9 ]
[ 747392-34-3 ]

Yield	Reaction Conditions	Operation in experiment
46%	With potassium hydroxide; triphenylphosphine; In tetrahydrofuran; water;	2-Bromo-5-fluorobenzyl bromide (3.0 g, 11 mmol, 1.0 equiv) was dissolved in dimethyl sulfoxide (100 mL) at ambient temperature. Sodium azide (2.8 g, 44 mmol, 4.0 equiv) was added to the solution and the reaction mixture heated at reflux for one day. The solution was cooled, quenched with water, and then extracted with ethyl acetate. The organic extracts were combined, washed with brine, dried over sodium sulfate and concentrated in vacuo. Purification by column chromatography (10: 1 hexanes/ethyl acetate) afforded the azide (0.85 g, [34%).] The azide (0.85 g, 3.7 mmol, 1.0 equiv) was dissolved in tetrahydrofuran (25 mL) and water (5.0 mL). KOH (0.20 g, 3.6 mmol, 0.97 equiv) was added to the solution followed by triphenylphosphine (1.1 g, 4.4 mmol, 1.2 equiv). The reaction mixture was stirred overnight at ambient temperature. The reaction was quenched with hydrochloric acid (conc.) and extracted with ethyl acetate. The aqueous layers were combined and made basic with sodium hydroxide (pellet) until pH [REACHED-14.] The aqueous layer was extracted with ethyl acetate, the organic layers combined, washed with brine, dried over sodium sulfate and concentrated in vacuo to afford the crude amine (0.35g, [46%)] as an orange oil.

References: [1]Chemistry - A European Journal,2009,vol. 15,p. 10225 - 10232.
[2]Patent: WO2003/99289,2003,A2 .Location in patent: Page 64, 65.

5
[ 747392-34-3 ]
[ 629628-16-6 ]

Yield	Reaction Conditions	Operation in experiment
		2-Bromo-5-fluorobenzyl amine [(0. 35 G,] 1.7 mmol, 1.0 equiv) was dissolved in tetrahydrofuran (20 mL) and stirred overnight at ambient temperature. The solvent was removed in vacuo and water (30 mL) was used to dissolve the concentrate. The solution was heated at reflux overnight and then cooled to ambient temperature. Sodium hydroxide (pellet) was added to the solution until the pH was-14. The solution was extracted with ethyl acetate, the organic extracts combined, washed with brine and dried over sodium sulfate. The solution was concentrated in vacuo. The concentrate was purified by column chromatography (30: 1 chloroform/methanol sat'd with ammonia). The product was isolated as a white solid. H NMR (300 MHz, [CDC13] w/TMS): [57.] 46-7.50 (m, 1H), 7.16-7. 19 (m, 1H), 6.83-6. 90 (m, 1H), 4.43 (s, 2H), 4.31 (t, 2H, J= 8.5 Hz), 3.79 (t, 2H, J= 8.8 Hz).

References: [1]Patent: WO2003/99289,2003,A2 .Location in patent: Page 65, 66.

6
[ 747392-34-3 ]
[ 31562-43-3 ]
2-methyl-propane-2-sulfinic acid 2-bromo-5-methoxy-benzylamide [ No CAS ]

References: [1]Chemistry - A European Journal,2009,vol. 15,p. 10225 - 10232.

7
[ 747392-34-3 ]
[ 4214-28-2 ]
[ 1257871-98-9 ]

References: [1]Organic Letters,2010,vol. 12,p. 5692 - 5695.

8
[ 747392-34-3 ]
[ 615-41-8 ]
[ 1257871-99-0 ]

References: [1]Organic Letters,2010,vol. 12,p. 5692 - 5695.

9
[ 747392-34-3 ]
[ 1169762-17-7 ]
[ 1169762-19-9 ]

Yield	Reaction Conditions	Operation in experiment
	With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 80℃; for 10h;Inert atmosphere;	General procedure: To a solution of tert-butyl 2-cyano-3,3-bis(methylthio) acrylate (4) (245 mg; 1.0 mmol) in CH3CN (3.0 ml) was added R1R2NH (1.0 mmol), and the mixture was stirred at 50 C for 1 h. DBU (0.3 ml; 2.0 mmol) and R3-PhCH2NH2 (1.2 mmol) were then added to the mixture, and the new mixture was stirred for 10 h at 80 C. The mixture was next diluted with EtOAc, washed with H2O, 1 N HCl aq, satd NaHCO3 aq and brine, and dried over Na2SO4, and the filtrate was concentrated in vacuo. To the residue in DMF (3.0 ml) was added K2CO3 (415 mg; 3.0 mmol) and then ethyl bromoacetate (0.13 ml; 1.3 mmol) dropwise, and the reaction mixture was stirred for 2 h at 50 C. The resulting slurry was diluted with EtOAc, washed with satd NH4Cl aq and brine and dried over Na2SO4, and the filtrate was concentrated in vacuo. To tert-butanol (1.5 ml) was added LiNH2 (58 mg; 2.5 mmol) and the mixture was stirred for 10 min at 80 C and then cooled to room temperature, and CH3CN (2.0 ml) was added. To the prepared slurry was added dropwise the alkylated intermediate in toluene (1.0 ml), and the resulting mixture was stirred for 2 h at 30 C. The slurry was diluted with EtOAc, washed with satd NH4Cl aq, and brine and dried over Na2SO4, and the filtrate was concentrated in vacuo. Finally, the residue was purified by column chromatography (hexane/EtOAc=8/1 to 3/1).

References: [1]Tetrahedron,2011,vol. 67,p. 3124 - 3131.

10
[ 913543-99-4 ]
[ 747392-34-3 ]
[ 309956-78-3 ]
C₂₅H₃₄BrFN₄O₄ [ No CAS ]