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2-(1H-Pyrazol-3-yl)aniline

CAS No.: 111562-32-4

4.5 *For Research Use Only !

Cat. No.: A247205 Purity: 98%

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Quality Control of [ 111562-32-4 ] Purity: 98% SDS Specification

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Application In Synthesis
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Product Details of [ 111562-32-4 ]

CAS No. :	111562-32-4
Formula :	C₉H₉N₃
M.W :	159.19
SMILES Code :	NC1=CC=CC=C1C2=NNC=C2
MDL No. :	MFCD09028476
InChI Key :	NRSKRRKWPPDKNI-UHFFFAOYSA-N
Pubchem ID :	257424

Safety of [ 111562-32-4 ]

GHS Pictogram:
Signal Word:	Warning
Hazard Statements:	H302-H315-H319-H335
Precautionary Statements:	P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Application In Synthesis [ 111562-32-4 ]

* 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 [ 111562-32-4 ]

[ 111562-32-4 ] Synthesis Path-Downstream 1~3

1
[ 59844-05-2 ]
[ 111562-32-4 ]

Yield	Reaction Conditions	Operation in experiment
	palladium; In methanol;	a) 2-(1H-Pyrazol-3-yl)-phenylamine To <strong>[59844-05-2]3-(2-nitrophenyl)-1H-pyrazole</strong> (Butt Park Ltd.) (100 mg, 0.53 mmol) was added methanol (10 mL) and the solution was degassed under Ar. To this solution was added 10% palladium on carbon (100 mg) and the mixture stirred at RT for 50 min under hydrogen (1 atm). The mixture was filtered through a short column of Celite, the product was washed off the column with methanol, and the solvent removed in vacuo to yield the title compound as a colorless crystalline solid (84 mg, quantitative yield). 1H-NMR (CDCl3; 400 MHz): δ 7.55 (d, 1H, J=2.3 Hz), 7.51 (m, 1H), 7.14 (m, 1H), 7.79-6.75 (m, 2H), 6.62 (m, 1H, J=2.4). LC-MS (ESI, m/z): Calcd. for C9H10N3: 160.1 (M+H); found: 160.1.
	With hydrogen;palladium 10% on activated carbon; In methanol; at 20℃; under 2585.81 Torr;	A mixture of compound 3 (25 g, 0.13 mol) and Pd/C (5 g, 10% w/w) in MeOH (500 mL) was stirred at room temperature under H2 (50 psi) overnight. After filtration, the filtrate was concentrated under vacuum to give compound 4 (17 g, yield: 81 %), which was used to the next step without further purification.

References: [1]Patent: US2005/113566,2005,A1 .
[2]Patent: WO2012/7006,2012,A1 .Location in patent: Page/Page column 33.

2
[ 111562-32-4 ]
[ 27762-64-7 ]
5-(cyclohexylmethyl)-5,6-dihydrobenzo[e]pyrazolo[1,5-c][1,3,2]diazaborinine [ No CAS ]

References: [1]Organic Letters,2019,vol. 21,p. 6235 - 6240.

3
[ 80041-89-0 ]
[ 111562-32-4 ]
5-isopropyl-5,6-dihydrobenzo[e]pyrazolo[1,5-c][1,3,2]diazaborinine [ No CAS ]

References: [1]Organic Letters,2019,vol. 21,p. 6235 - 6240.

Historical Records

Technical Information

• Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Hydride Reductions • Leuckart-Wallach Reaction • Mannich Reaction • Petasis Reaction • Preparation of Amines • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Specialized Acylation Reagents-Vilsmeier Reagent • Ugi Reaction

Related Functional Groups of
[ 111562-32-4 ]

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Amines

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Related Parent Nucleus of
[ 111562-32-4 ]

Pyrazoles

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2-(1H-Pyrazol-3-yl)aniline

CAS No.: 111562-32-4