| Identification | More | [Name]
3-Amino-5-methylpyrazole | [CAS]
31230-17-8 | [Synonyms]
3,5-AMP
3-AMINO-5-METHYLPYRAZOLE
3-METHYL-1H-PYRAZOL-5-AMINE
5-AMINO-3-METHYLPYRAZOLE
5-METHYL-1H-PYRAZOL-3-YLAMINE
5-METHYL-2H-PYRAZOL-3-YL AMINE
5-METHYL-2H-PYRAZOLE-3-YL AMINE
5-METHYL-3-PYRAZOLAMINE
AKOS B016021
AKOS BBS-00004647
AMINO(3-)-5-METHYLPYRAZOLE
ART-CHEM-BB B016021
BUTTPARK 48\04-98
TIMTEC-BB SBB004375
3,1-AMP
5-Metyl-3-aminopyrazole
3-Amino-5-methyl-[1H]-pyrazole
3-Methyl-5-aminopyrazole
3-AMINO-5-METHYLPYRAZONE
5-AMINO-3-METHYLPYRAZOLE 97% | [EINECS(EC#)]
-0 | [Molecular Formula]
C4H7N3 | [MDL Number]
MFCD00051640 | [Molecular Weight]
97.12 | [MOL File]
31230-17-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
45-47 °C (lit.) | [Boiling point ]
213 °C/14 mmHg (lit.) | [density ]
1.0548 (rough estimate) | [refractive index ]
1.5200 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Soluble in Dichloromethane and Methanol. | [form ]
Solid | [pka]
15.84±0.10(Predicted) | [color ]
Light yellow to orange | [Sensitive ]
Air Sensitive | [Detection Methods]
HPLC | [BRN ]
1904 | [Stability:]
Light Sensitive | [InChI]
1S/C4H7N3/c1-3-2-4(5)7-6-3/h2H,1H3,(H3,5,6,7) | [InChIKey]
FYTLHYRDGXRYEY-UHFFFAOYSA-N | [SMILES]
Cc1cc(N)n[nH]1 | [CAS DataBase Reference]
31230-17-8(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen | [EPA Substance Registry System]
31230-17-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29331990 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powde | [Uses]
3-Amino-5-methylpyrazole was employed as beta-sheet template to investigate its interaction with ferrocenoyl-dipeptides. It was also used in the synthesis of 4-aryl-3,7,7-trimethyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-ones. | [Uses]
3-Amino-5-methyl-1H-pyrazole was employed as beta-sheet template to investigate its interaction with ferrocenoyl-dipeptides. It is also used in the synthesis of 4-aryl-3,7,7-trimethyl-2,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinolin-5-ones. It can react with 4-Ethoxymethylene-2-phenyl-4H-oxazol-5-one to get N-(2-Methyl-7-oxo-4,7-dihydro-pyrazolo[1,5-a]pyrimidin-6-yl)-benzamide. | [Definition]
ChEBI: 5-Methyl-3-pyrazolamine is a heterocyclic compound and a dicarboximide. | [General Description]
Complexation of the amino- and carboxyl-protected tripeptide with 3-amino-5-methylpyrazole was studied by low-temperature NMR experiments in a freonic solvent. | [Synthesis]
General procedure for the synthesis of 3-amino-5-methyl-1H-pyrazole from 3-aminobut-2-enenenitrile: 10 g of 3-aminobut-2-enenitrile and 5 L of ethanol were added to a 10 L reaction flask and stirred until completely dissolved. Subsequently, 2500 g of 80% hydrazine hydrate was added. After stirring at room temperature for 10-20 minutes, the reaction was slowly heated to reflux, keeping the reaction temperature between 85-95 °C. Note: A large amount of gas is generated during the reaction. When the reaction has been carried out for 1.5-2.5 hours, confirm the complete reaction of the feedstock by TLC monitoring. Upon completion of the reaction, the reaction solution is concentrated under reduced pressure at 50-60°C to 20-30% of the original volume. Finally, a light yellow liquid (converted to a light yellow solid after cooling) was obtained by oil pump distillation in a yield of 2230 g with 94.2% yield. The purity of 3-amino-5-methyl-1H-pyrazole was higher than 98% and the content of single impurity was lower than 0.5% by GC and HPLC analysis. | [References]
[1] Patent: CN108341782, 2018, A. Location in patent: Paragraph 0018; 0019; 0021; 0022
[2] Patent: CN104844567, 2017, B. Location in patent: Paragraph 0031; 0034; 0039; 0044 |
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