573762-57-9|5-Nitro-3-trifluoromethylpyridine-2-carbonitrile| Ambeed

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Quality Control of [ 573762-57-9 ] Purity: 95% SDS Specification

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Product Details of [ 573762-57-9 ]

CAS No. :	573762-57-9
Formula :	C₇H₂F₃N₃O₂
M.W :	217.10
SMILES Code :	N#CC1=NC=C([N+]([O-])=O)C=C1C(F)(F)F
MDL No. :	MFCD11848363
InChI Key :	IDGUNYFTVCEPGA-UHFFFAOYSA-N
Pubchem ID :	21874893

Safety of [ 573762-57-9 ]

GHS Pictogram:
Signal Word:	Danger
Hazard Statements:	H301-H311-H331
Precautionary Statements:	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:	6.1
UN#:	2810
Packing Group:	Ⅲ

Application In Synthesis of [ 573762-57-9 ]

* 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 [ 573762-57-9 ]

[ 573762-57-9 ] Synthesis Path-Downstream 1~2

1
[ 99368-67-9 ]
[ 557-21-1 ]
[ 573762-57-9 ]

Yield	Reaction Conditions	Operation in experiment
40%	1,1'-bis-(diphenylphosphino)ferrocene; tris-(dibenzylideneacetone)dipalladium(0); In N,N-dimethyl-formamide; at 130℃; for 0.333333h;Microwave irradiation;	l-cyano-S-nitro-S-trifluoromethylpyridine muwave 130 0C, 20 min[0066] Zinc cyanide (25 mg, 0.216 mmol, 1.2 eq) is added to the chloride (43 mg,0.180 mmol) solubilized in DMF (1 ml). The solution is degassed for 10 minutes. Then the ligand dppf (20 mg, 0.036 mmol, 0.2 eq) is added. The solution is degassed again for 5 min. The catalyst Pd2(dba)3 (25 mg, 0.027 mmol, 0.15 eq) is added, the solution is degassed for 5 more minutes. The reaction mixture is then heated at 130 0C for 20 min in a microwave. After filtration, the solvent is evaporated and the crude residue is purified by flash chromatography on silica gel (hexane /EtOAc) to afford 16 mg (40percent) of the desired product. [0067] 1H NMR (400 MHz, CDCl3) delta 8.60 (d, J= 2.5, IH); 9.08 (d, J= 2.5, IH),

References: [1]Patent: WO2008/119015,2008,A2 .Location in patent: Page/Page column 47.

2
[ 99368-66-8 ]
[ 573762-57-9 ]

References: [1]Patent: WO2016/100645,2016,A1 .
[2]Patent: US2016/152592,2016,A1 .
[3]Bioorganic and Medicinal Chemistry Letters,2017,vol. 27,p. 2803 - 2806.
[4]European Journal of Medicinal Chemistry,2020,vol. 192.

Historical Records

Technical Information

• Alkyl Halide Occurrence • Blaise Reaction • Catalytic Hydrogenation • Complex Metal Hydride Reductions • Hydride Reductions • Preparation of Aldehydes and Ketones • Preparation of Amines • Ritter Reaction • Thorpe-Ziegler Reaction

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CAS No.: 573762-57-9

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