1,3-Dimethyl-1H-pyrazol-5-amine
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1,3-Dimethyl-1H-pyrazol-5-amine
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CAS No:
3524-32-1
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Formula:
C5H9N3
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Chemical Name:
1,3-Dimethyl-1H-pyrazol-5-amine
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Synonyms:
1H-Pyrazol-5-amine,1,3-dimethyl-;Pyrazole,5-amino-1,3-dimethyl-;1,3-Dimethyl-1H-pyrazol-5-amine;5-Amino-1,3-dimethylpyrazole;5-Amino-1,3-dimethyl-1H-pyrazole;1,3-Dimethyl-5-aminopyrazole;1,3-Dimethyl-5-pyrazolamine;1,3-Dimethyl-5-amino-1H-pyrazole;2,5-Dimethyl-2H-pyrazol-3-ylamine;3-Amino-2,5-dimethyl-2H-pyrazole;(1,3-Dimethyl-1H-pyrazol-5-yl)amine;2,5-Dimethylpyrazol-3-amine;56070-20-3
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CAS No:
Characteristics
43.8
0.3
white to light yellow crystal powde
1.2±0.1 g/cm3
78-79 °C
121-123 °C @ Press: 9 Torr
88 °C
1.582
Safety Information
NONH for all modes of transport
3
36/37/38-22
26-36-37/39
Xi,Xn
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1,3-Dimethyl-1H-pyrazol-5-amine Use and Manufacturing
To a solution of 3-aminocrotononitri.e (16.5 g, 0.2 mo.) in n-pentanoi (40 mL) was added methylhydrazine (12, 9 g, 0.28 moi). The solution was maintained at reflux for 3 hours. The n-pentanol and the excess methylhydrazine were subsequently distilled off under reduced pressure, The beige precipitate obtained was taken up in heptanes (150 mL), filtered on a sinter funnel and then dried under vacuum at a temperature of 40 °C to afford the product 1 , 3-dimethyl-1 H-pyrazo.-5-amine as a beige solid (13.5 g, yield 60.4 percent).Under nitrogen atmosphere, to a 500 mL of round bottom flask were added 2-cyanoacetone (8 g, 0.096mol) and 200 mL of anhydrous ethanol. 2-cyanoacetone was dissolved with stirring at room temperature. Methylhydrazine (4.43 g, 0.096 mol) was added to obtain a resultant mixture. The mixture was slowly warmed and refluxed. After reacting for 3 hr, the solvent was rotary-evaporated to obtain a product as oil. The product was purified by column chromatography to give 4.2 g of the title compound. MS (ESI): m/z 112 (M+H)
Computed Properties
Molecular Weight:111.15
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:111.079647300
Monoisotopic Mass:111.079647300
Topological Polar Surface Area:43.8
Heavy Atom Count:8
Complexity:83.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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