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423768-52-9

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423768-52-9 Structure

423768-52-9 Structure
IdentificationBack Directory
[Name]

(1,5-DIMETHYL-1H-PYRAZOL-3-YL)METHYLAMINE
[CAS]

423768-52-9
[Synonyms]

AKOS B014394
AKOS PAO-0907
BUTTPARK 147\11-05
ART-CHEM-BB B016042
ART-CHEM-BB B014394
3-(AMinoMethyl)-1,5-diMethylpyrazole
(1,5-Dimethylpyrazol-3-yl)methanamine
3-(Aminomethyl)-1,5-dimethyl-1H-pyrazole
1H-Pyrazole-3-methanamine, 1,5-dimethyl-
(1,5-DiMethyl-1H-pyrazol-3-yl)MethanaMine
(1,5-DIMETHYL-1H-PYRAZOL-3-YL)METHYLAMINE
1H-Pyrazole-3-methanamine,1,5-dimethyl-(9CI)
3-(Aminomethyl)-1,5-dimethyl-1H-pyrazole 95+%
(1,5-Dimethyl-1H-pyrazol-3-yl)methylamine ,97%
[Molecular Formula]

C6H11N3
[MDL Number]

MFCD03422531
[MOL File]

423768-52-9.mol
[Molecular Weight]

125.17
Chemical PropertiesBack Directory
[Boiling point ]

94 °C
[density ]

1.12±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[form ]

liquid
[pka]

8.26±0.29(Predicted)
[color ]

Colourless to light yellow
[InChI]

1S/C6H11N3/c1-5-3-6(4-7)8-9(5)2/h3H,4,7H2,1-2H3
[InChIKey]

JGYXJOBBROGMLL-UHFFFAOYSA-N
[SMILES]

Cc1cc(CN)nn1C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

C
[WGK Germany ]

WGK 3
[Hazard Note ]

Corrosive
[HS Code ]

2933199090
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Diethyl ether-->Bromine-->Ammonium hydroxide-->Sodium borohydride-->Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate-->Nickle chloride-->1H-Pyrazole-3-carboxamide,1,5-dimethyl-(9CI)-->Tetrahydrofuran-->Lithium Aluminum Hydride
Spectrum DetailBack Directory
[Spectrum Detail]

(1,5-DIMETHYL-1H-PYRAZOL-3-YL)METHYLAMINE(423768-52-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

1H-Pyrazole-3-carboxamide,1,5-dimethyl-(9CI)

54384-74-6

(1,5-DIMETHYL-1H-PYRAZOL-3-YL)METHYLAMINE

423768-52-9

1,5-Dimethyl-1H-pyrazole-3-carboxamide was used as starting material and dissolved in 70 mL of tetrahydrofuran (THF) at 0 °C. Subsequently, lithium aluminum hydride (LiAlH4, 4.1 g, 107.89 mmol) was added in batches. The reaction mixture was heated to reflux for 1 hour. Upon completion of the reaction, solid impurities were removed by filtration and the filtrate was concentrated to afford (1,5-dimethyl-1H-pyrazol-3-yl)methanamine in the form of a yellow oil in a yield of 3 g and 67%.

[References]

[1] Patent: WO2009/139834, 2009, A1. Location in patent: Page/Page column 129
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