Conditions | Yield |
---|---|
With carbazic acid In neat (no solvent) at 70℃; for 0.3h; Green chemistry; | 99% |
With Cu1.5PMo12O40; hydrazine hydrate at 20℃; for 0.166667h; Green chemistry; | 99% |
With hydrazine hydrate In water at 20℃; for 0.0833333h; Solvent; Green chemistry; | 98% |
1,3-diaminoguanidine monohydrochloride
acetylacetone
A
3,5-dimethyl-1H-pyrazole
B
3,6-diamino-1,2-dihydro-1,2,4,5-tetrazine monohydrochloride
Conditions | Yield |
---|---|
In isopropyl alcohol 1.) 20 h, ambient temperature, 2.) 8 h, reflux; | A 96% B 46% |
1-(2,4-dinitrophenyl)-3,5-dimethylpyrazole
formamide
A
3,5-dimethyl-1H-pyrazole
B
2,4-Dinitroanilin
Conditions | Yield |
---|---|
at 165 - 175℃; | A n/a B 96% |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
hexadecylamine
A
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In acetonitrile at 20 - 25℃; Substitution; | A n/a B 96% |
Conditions | Yield |
---|---|
With phosphotungstic acid In water at 20℃; for 0.166667h; regioselective reaction; | 96% |
Conditions | Yield |
---|---|
With 1-butyl-3-methylimidazolium hydrogen sulfate at 70 - 75℃; for 0.0333333h; Microwave irradiation; | 95% |
3,5-Dimethyl-1H-pyrazol-1-amin
A
3,5-dimethyl-1H-pyrazole
B
4,6-dimethyl-1,2,3-triazine
Conditions | Yield |
---|---|
With lithium perchlorate In acetonitrile Product distribution; Mechanism; electrochemical oxidation, Pt-electrode; dependence of product yield and distribution on addition of H2O or pyridine as solvents; same reaction of further N-aminopyrazoles; | A n/a B 94% |
With lithium perchlorate In water; acetonitrile electrochemical oxidation, Pt-electrode; | A n/a B 94% |
Conditions | Yield |
---|---|
With hydrogenchloride for 0.0833333h; | 93% |
In water for 0.5h; Heating; | 62% |
(Z)-9-octadecen-1-amine
Phosphorous Acid Tris(3,5-dimethylpyrazolide)
A
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
at 80℃; for 0.5h; Temperature; | A 92% B n/a |
Conditions | Yield |
---|---|
With sodium sulfite In water at 100℃; for 4h; Sealed tube; Microwave irradiation; Green chemistry; | 92% |
3,5-dimethyl-1-(prop-2-en-1-yl)-1H-pyrazole
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
With Na2K-SG(I) In tetrahydrofuran at 20℃; Inert atmosphere; | 91% |
With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); diisobutylaluminium hydride In toluene for 1h; Ambient temperature; | 86% |
3,5-dimethyl-1H-pyrazole-1-carbothioamide
methyl 3-phenyl-3-chloro-2-ketopropionate
A
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In ethanol for 2.5h; Heating; Yield given; | A 90% B n/a |
N-amino-4,6-dimethylpyrimidinium mesitylene sulfonate
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
With sodium hydroxide for 21h; Ambient temperature; | 90% |
With sodium hydroxide for 21h; Mechanism; Ambient temperature; other reaction partners; other time; | 90% |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
histamine
A
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In acetonitrile at 20 - 25℃; Substitution; | A n/a B 90% |
Conditions | Yield |
---|---|
With D-glucose In aq. phosphate buffer at 20℃; for 0.166667h; pH=7.0; Green chemistry; | 90% |
Conditions | Yield |
---|---|
With sodium sulfite In water at 130℃; for 1h; Sealed tube; Microwave irradiation; Green chemistry; | 90% |
3,5-dimethyl-1H-pyrazole-1-carbothioamide
methyl 3-phenyl-3-chloro-2-ketopropionate
A
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In benzene for 1h; Heating; Yield given; | A 89% B n/a |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
1-amino-2-propene
A
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In acetonitrile at 20 - 25℃; Substitution; | A n/a B 88% |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
A
3,5-dimethyl-1H-pyrazole
B
6-(3,5-dimethylpyrazol-1-yl)-N-(3-methyl-2-pyridyl)-1,2,4,5-tetrazin-3-amine
Conditions | Yield |
---|---|
With hydrazine In methanol at 20 - 25℃; Substitution; | A n/a B 87% |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
4-chloro-aniline
A
3,5-dimethyl-1H-pyrazole
B
N-(4-chlorophenyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
Conditions | Yield |
---|---|
In methanol at 40 - 50℃; for 0.0833333h; Substitution; | A n/a B 87% |
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
With sodium hydroxide; hydrazine dihydrochloride In water at 20℃; for 15h; | 86% |
2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine
A
3,5-dimethyl-1H-pyrazole
B
isocyanuric acid
Conditions | Yield |
---|---|
With hydrogenchloride; water for 2h; Reflux; | A 72% B 86% |
N-Methylformamide
1-(2,4-dinitrophenyl)-3,5-dimethylpyrazole
A
3,5-dimethyl-1H-pyrazole
B
N-methyl-2,4-dinitroaniline
Conditions | Yield |
---|---|
at 165 - 175℃; | A n/a B 84% |
Conditions | Yield |
---|---|
In water for 3h; Reflux; | 83% |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
cycloheptanamine
A
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In methanol at 20 - 25℃; Substitution; | A n/a B 82% |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
cyclohexylamine
A
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In methanol at 20 - 25℃; Substitution; | A n/a B 82% |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
ethylamine
A
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In acetonitrile at 18 - 20℃; Substitution; | A n/a B 82% |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
1-amino-3-methylbenzene
A
3,5-dimethyl-1H-pyrazole
B
[6-(3,5-dimethyl-pyrazol-1-yl)-[1,2,4,5]tetrazin-3-yl]-m-tolyl-amine
Conditions | Yield |
---|---|
In acetonitrile at 40 - 50℃; for 0.0833333h; Substitution; | A n/a B 82% |
3,6-bis-(3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazine
benzylamine
A
3,5-dimethyl-1H-pyrazole
B
N-benzyl-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine
Conditions | Yield |
---|---|
In methanol at 20 - 25℃; Substitution; | A n/a B 82% |
3,5-dimethyl-1H-pyrazole
phenylacetyl chloride
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-phenylethan-1-one
Conditions | Yield |
---|---|
In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere; | 100% |
With triethylamine In benzene for 5h; Heating; | 65% |
With pyridine; benzene | |
With triethylamine | |
With triethylamine |
Conditions | Yield |
---|---|
With N-Bromosuccinimide In ethyl acetate at 25 - 30℃; for 0.25h; Sonication; | 100% |
With N-Bromosuccinimide In ethyl acetate at 25 - 30℃; for 0.1h; ultrasound irradiation; | 98% |
With nitrosylsulfuric acid; nitromethane; tetramethylammonium bromide at 0 - 20℃; for 20h; | 95% |
Conditions | Yield |
---|---|
With ammonium cerium(IV) nitrate; iodine In acetonitrile at 20℃; for 16h; | 100% |
With iodine; sodium carbonate; potassium iodide In water Heating; | 94% |
With Iodine monochloride In ethyl acetate at 25 - 30℃; for 0.25h; ultrasound irradiation; | 94% |
3,5-dimethyl-1H-pyrazole
1-Oxo-1H-pyrazolo<1,2-a><1,2,4>triazol-4-ium-3-olat
3,5-Dimethyl-N-(1-pyrazolylcarbonyl)-1-pyrazolcarboxamid
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
at 800℃; under 0.1 Torr; for 2.77778E-06h; Product distribution; Mechanism; var. temp., deuterium substituted 3,5-dimethylpyrazole; | 100% |
at 456.9℃; under 0.2 - 0.5 Torr; for 2.77778E-05h; Kinetics; Mechanism; Thermodynamic data; Irradiation; various temp., ΔH(excit.); |
3,5-dimethyl-1H-pyrazole
3,5-dimethylpyrazole perchlorate
Conditions | Yield |
---|---|
With perchloric acid In ethanol | 100% |
3,5-dimethyl-1H-pyrazole
2-(vinyloxy)ethyl isothiocyanate
Conditions | Yield |
---|---|
at 70℃; for 5h; | 100% |
3,5-dimethyl-1H-pyrazole
N-Boc-D-serine(Bzl)-OH
(1R)-[1-[(3,5-dimethylpyrazol-1-yl)-carbonyl]-2-benzyloxyethyl]carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In chloroform at 20℃; | 100% |
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In ethyl acetate at 50℃; for 1h; | 100% |
3,5-dimethyl-1H-pyrazole
methyl 4-[3-(5-chloro-1-(diphenylmethyl)-2-{2-[(vinylsulfonyl)amino]ethyl}-1H-indol-3-yl)propyl]benzoate
methyl 4-(3-{1-benzhydryl-5-chloro-2-[2-({[2-(3,5-dimethyl-1Hpyrazol-1-yl)ethyl]sulfonyl}amino)ethyl]-1H-indol-3-yl}propyl)benzoate
Conditions | Yield |
---|---|
In ethanol at 20℃; Michael addition; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate In acetonitrile Reflux; | 100% |
With potassium carbonate In acetonitrile Reflux; |
Conditions | Yield |
---|---|
With copper(l) iodide; metformin hydrochloride; potassium carbonate In N,N-dimethyl-formamide at 100℃; for 48h; Merrifield resin; | 100% |
3,5-dimethyl-1H-pyrazole
3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}propionic acid
Conditions | Yield |
---|---|
With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0 - 20℃; for 24h; Inert atmosphere; | 100% |
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
In dichloromethane mixt. of 1-alkynylcarbene complex and substituted pyrazole in CH2Cl2 stirred in a screwtop vessel at 23°C for 8 h; column chromy. on silica gel; recrystd. at -20°C; elem. anal.; | 99.6% |
3,5-dimethyl-1H-pyrazole
N-Benzyloxycarbonyl-L-proline
(S)-2-(3,5-Dimethyl-pyrazole-1-carbonyl)-pyrrolidine-1-carboxylic acid benzyl ester
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In dichloromethane 1.) 0 deg C, 30 min, 2.) room temperature, overnight; | 99.5% |
Conditions | Yield |
---|---|
In hexane for 18 h; NMR; | 99% |
3,5-dimethyl-1H-pyrazole
Rh(1+)*Cl(1-)*C7H8*C3H2N2(CH3)2=[RhCl(C7H8)(C3H2N2(CH3)2)]
Conditions | Yield |
---|---|
In dichloromethane stirring (25°C, 2 h); solvent redn. (vac.), pptn. on hexane addn., filtn., washing (hexane), drying (vac.); elem. anal.; | 99% |
3,5-dimethyl-1H-pyrazole
cobalt(II) acetate
Trimethylacetic acid
bis(3,5-dimethylpyrazole)bis(trimethylacetato)bis(μ-N,N'-3,5-dimethylpyrazolato)dicobalt(II)
Conditions | Yield |
---|---|
With triethylamine In hexane byproducts: (C2H5)3NHOOCC(CH3)3; under Ar atm.; aq. cobalt acetate and pivalic acid were fused at 165°C; cooled; excess of ligand, Et3N added; 22°C; suspn. dissolved in hexane; allowed to stand for 1 d at 5°C; crystals washed (hexane); dried in flowing Ar; elem. anal.; | 99% |
Conditions | Yield |
---|---|
With O2 In acetone byproducts: H2O; Zinc metal shot and the pyrazole are heated together with stirring under O2 at 90°C, addn. of acetone, after 2 h a white ppt. is obtained, the reaction is allowed to proceed for 45 h.; cooling to room temp., extn. (acetone), filtn., washing of insolubles (acetone), drying in vac., elem. anal.; | 99% |
3,5-dimethyl-1H-pyrazole
tris{(3,5-dimethyl-pyrazolato-N',N(2))copper(I)}
Conditions | Yield |
---|---|
With oxygen In neat (no solvent) (O2); heating Cu-compd. and org. compd. at 124°C (3 h); cooling to room temp., extn. (dry THF), filtration, washing (THF), drying in desiccator at room temp.; elem. anal.; | 99% |
3,5-dimethyl-1H-pyrazole
1-chloro-2-(chloromethyl)benzene
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
With potassium hydroxide In dimethyl sulfoxide | 99% |
Stage #1: 3,5-dimethyl-1H-pyrazole With potassium hydroxide In dimethyl sulfoxide at 80℃; for 1.5h; Stage #2: 1-chloro-2-(chloromethyl)benzene In dimethyl sulfoxide for 1.75h; | 99% |
Stage #1: 3,5-dimethyl-1H-pyrazole With potassium hydroxide In dimethyl sulfoxide at 80℃; for 1.5h; Inert atmosphere; Stage #2: 1-chloro-2-(chloromethyl)benzene In dimethyl sulfoxide at 20℃; for 1.25h; Inert atmosphere; | 99% |
3,5-dimethyl-1H-pyrazole
(1R,2R)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2-bis(3-methoxyphenyl)ethanol
Conditions | Yield |
---|---|
Stage #1: 3,5-dimethyl-1H-pyrazole With C35H48N4O4; scandium tris(trifluoromethanesulfonate) In dichloromethane at 35℃; for 0.0833333h; Molecular sieve; Inert atmosphere; Stage #2: cis-2,3-bis(3-methoxylphenyl)oxirane In dichloromethane at 35℃; for 48h; Inert atmosphere; Molecular sieve; optical yield given as %ee; enantioselective reaction; | 99% |
3,5-dimethyl-1H-pyrazole
(2R,3S)-2,3-bis(4-fluorophenyl)oxirane
(1R,2R)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2-bis(4-fluorophenyl)ethanol
Conditions | Yield |
---|---|
Stage #1: 3,5-dimethyl-1H-pyrazole With C35H48N4O4; scandium tris(trifluoromethanesulfonate) In dichloromethane at 35℃; for 0.0833333h; Molecular sieve; Inert atmosphere; Stage #2: (2R,3S)-2,3-bis(4-fluorophenyl)oxirane In dichloromethane at 35℃; for 48h; Inert atmosphere; Molecular sieve; optical yield given as %ee; enantioselective reaction; | 99% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; iron(III) chloride In neat (no solvent) at 100℃; for 10h; | 99% |
3,5-dimethyl-1H-pyrazole
(1-bromoethyl)benzne
Conditions | Yield |
---|---|
With sodium hydrogencarbonate at 110℃; for 24h; Sealed tube; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 16h; | 99% |
3,5-dimethyl-1H-pyrazole
2-(3-methoxyphenyl)imidazo[1,2-a]pyridine
Conditions | Yield |
---|---|
With dichloro(dimethylglyoxime)(dimethylglyoximato)cobalt(III); 9-(2-mesityl)-10-methylacridinium perchlorate In 1,2-dichloro-ethane at 20℃; for 24h; Irradiation; Inert atmosphere; Schlenk technique; Molecular sieve; regioselective reaction; | 99% |
3,5-dimethyl-1H-pyrazole
Conditions | Yield |
---|---|
With dichloro(dimethylglyoxime)(dimethylglyoximato)cobalt(III); 9-(2-mesityl)-10-methylacridinium perchlorate In 1,2-dichloro-ethane at 20℃; for 24h; Irradiation; Inert atmosphere; Schlenk technique; Molecular sieve; regioselective reaction; | 99% |
The IUPAC name of 3,5-Dimethylpyrazole is 3,5-dimethyl-1H-pyrazole. With the CAS registry number 67-51-6, it is also named as 3,5-Dwumetylopirazolu; Pyrazole, 3,5-dimethyl-. The product's categories are building blocks, heterocyclic building blocks, pyrazoles, gravimetric reagents building blocks, analytical reagents, analytical/chromatography, diketene derivatives and pyrazolones. Furthermore, it is white crystal powder which is stable under normal temperatures and pressures.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 4.88; (6)ACD/BCF (pH 7.4): 5.13; (7)ACD/KOC (pH 5.5): 106.74; (8)ACD/KOC (pH 7.4): 112.17; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 28.42 cm3; (14)Molar Volume: 93.5 cm3; (15)Polarizability: 11.26×10-24 cm3; (16)Surface Tension: 40.7 dyne/cm; (17)Enthalpy of Vaporization: 43.59 kJ/mol; (18)Vapour Pressure: 0.19 mmHg at 25°C; (19)Exact Mass: 96.068748; (20)MonoIsotopic Mass: 96.068748; (21)Topological Polar Surface Area: 28.7; (22)Heavy Atom Count: 7.
Preparation of 3,5-Dimethylpyrazole: It can be obtained by pentane-2,4-dione with the reagent aq. hydrazine hydrate in the solvent CHCl3.
Uses of 3,5-Dimethylpyrazole: It is used as intermediate for the manufacture of organic dyestuffs and photochemicals. For example: it can react with formaldehyde to get (3,5-dimethyl-pyrazol-1-yl)-methanol in ethanol.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES: n1c(cc(n1)C)C;
2. InChI: InChI=1/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7).
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 570mg/kg (570mg/kg) | BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Dissertationes Pharmaceuticae et Pharmacologicae. Vol. 18, Pg. 19, 1966. |
mouse | LD50 | oral | 1060mg/kg (1060mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: ATAXIA | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(10), Pg. 56, 1981. |
rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 23, 1953. |
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