Products Categories
CAS No.: | 930-36-9 |
---|---|
Name: | 1-Methylpyrazole |
Article Data: | 39 |
Molecular Structure: | |
Formula: | C4H6N2 |
Molecular Weight: | 82.105 |
Synonyms: | Pyrazole, 1-methyl- (6CI,7CI,8CI);1-Methyl-1H-pyrazole; |
EINECS: | -0 |
Density: | 0.996 g/cm3 |
Melting Point: | 36.5°C (estimate) |
Boiling Point: | 126.999 °C at 760 mmHg |
Flash Point: | 26.222 °C |
Solubility: | Soluble in water |
Appearance: | clear colorless to light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 10-36/37/38 |
Safety: | 26-37/39-16 |
Transport Information: | UN 1993 3/PG 3 |
PSA: | 17.82000 |
LogP: | 0.42010 |
Conditions | Yield |
---|---|
With potassium hydroxide; tetrabutylammomium bromide at 0℃; for 6h; | 90% |
With potassium tert-butylate; 18-crown-6 ether In diethyl ether for 1h; Ambient temperature; | 86% |
With potassium hydroxide In water at 20 - 37℃; | 85% |
1-methyl-1H-pyrazole-5-carboxylic acid
1-methyl-1H-pyrazole
Conditions | Yield |
---|---|
In neat (no solvent) at 235 - 250℃; | 81% |
Conditions | Yield |
---|---|
at 140℃; for 8h; atmospheric pressure; | 69% |
at 115 - 140℃; for 8 - 9h; | 14% |
Conditions | Yield |
---|---|
With sodium hydroxide | 60% |
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water at 20℃; | 53% |
1-methyl-5-(trimethylsilyl)-1H-pyrazole
butyraldehyde
A
1-methyl-1H-pyrazole
B
5-(1-hydroxybutyl)-1-methylpyrazole
Conditions | Yield |
---|---|
cesium fluoride In N,N-dimethyl-formamide at 50℃; for 1.33333h; | A 30% B 10% |
Conditions | Yield |
---|---|
With sodium hydroxide; dimethyl sulfate |
4-bromo-1-methyl-1H-pyrazole
n-butyllithium
diethyl ether
A
1-methyl-1H-pyrazole
B
1-methyl-1H-pyrazole-4-carboxylic acid
Conditions | Yield |
---|---|
anschl. mit CO2 bei -70grad; |
Conditions | Yield |
---|---|
With ethanol; methylhydrazine sulfuric acid |
1,2-dimethyl-1H-pyrazol-2-ium iodide
1-methyl-1H-pyrazole
Conditions | Yield |
---|---|
bei der trocknen Destillation; |
bis(pyrazol-1-yl)methane
A
NH-pyrazole
B
1-methyl-1H-pyrazole
C
Tris(pyrazolyl)methane
Conditions | Yield |
---|---|
at 600 - 750℃; under 0.01 Torr; | A 25.2 % Chromat. B 10.0 % Chromat. C 30.8 % Chromat. |
at 600 - 750℃; under 0.01 Torr; | A 25.2 % Chromat. B 10 % Chromat. C 30.8 % Chromat. |
The 1-Methylpyrazole, with the CAS registry number 930-36-9, is also known as 1H-Pyrazole,1-methyl-. It belongs to the product categories of Pyrazoles & Triazoles; Building Blocks; Heterocyclic Building Blocks; Pyrazoles. This chemical's molecular formula is C4H6N2 and molecular weight is 82.10. What's more, its systematic name is 1-Methyl-1H-pyrazole. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants.
Physical properties of 1-Methylpyrazole are: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 19.97; (8)ACD/KOC (pH 7.4): 19.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 25.25 cm3; (15)Molar Volume: 82.394 cm3; (16)Polarizability: 10.01×10-24cm3; (17)Surface Tension: 35.0 dyne/cm; (18)Density: 0.996 g/cm3; (19)Flash Point: 26.222 °C; (20)Enthalpy of Vaporization: 34.972 kJ/mol; (21)Boiling Point: 126.999 °C at 760 mmHg; (22)Vapour Pressure: 13.8 mmHg at 25°C.
Preparation: this chemical can be prepared by 1H-pyrazole and iodomethane at the ambient temperature. This reaction will need reagent potassium tert-butoxide and solvent diethyl ether with the reaction time of 1 hour. This reaction will also need catalyst 18-crown-6. The yield is about 86%.
Uses of 1-Methylpyrazole: it can be used to produce 1-methyl-4-nitro-1H-pyrazole. It will need reagents HNO3, H2SO4. The yield is about 60%.
When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cccn1C
(2)Std. InChI: InChI=1S/C4H6N2/c1-6-4-2-3-5-6/h2-4H,1H3
(3)Std. InChIKey: UQFQONCQIQEYPJ-UHFFFAOYSA-N