3,4-Dimethylpyrazole phosphate
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3,4-Dimethylpyrazole phosphate
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CAS No:
202842-98-6
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Formula:
C5H8N2.H3O4P
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Chemical Name:
3,4-Dimethylpyrazole phosphate
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Synonyms:
1H-Pyrazole,3,4-dimethyl-,phosphate (1:1);3,4-Dimethylpyrazole phosphate;Entec;DMPP;DMPP (nitrification inhibitor);3,4-Dimethyl-1H-pyrazole phosphate;3,4-Dimethyl-1H-pyrazolium dihydrogen phosphate
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CAS No:
Description
Pale Beige Solid
3,4-dimethyl-1H-pyrazole phosphate is a phosphate salt obtained by reacting 3,4-dimethyl-1H-pyrazole with one equivalent of phosphoric acid. It is a nitrification inhibitor and when used on crops, it prevents nitrogen loss from soil, increases nitrogen use efficiency, and boosts crop yields. It has a role as a nitrification inhibitor. It contains a 3,4-dimethyl-1H-pyrazole.
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P280, P281, P301+P312, P305+P351+P338, P308+P313, P314, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 5 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Danger|P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501|Aggregated GHS information provided by 52 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4-Dimethylpyrazole phosphate Use and Manufacturing
Add the above-mentioned organic solution of an alkenyl chloride compound (3-chloro-2-methyl-3-butene-1-aldehyde) to a three-necked flask, Add 87 g of solid hydrazine hydrochloride in batches, and then slowly add hydrochloric acid at a temperature of 15-35 C to adjust the pH to 7-9.Hold the reaction at 15-45 for 2 hours, slowly add 20% NaOH aqueous solution to adjust the pH to 7-10140 g of dichloromethane was added, and the layers were separated at rest to obtain an organic layer. The solvent was distilled off under reduced pressure to obtain a crude 3, 4-dimethylpyrazole.The yield is 86%, which can be directly used in the next step of 3, 4-dimethylpyrazole phosphate preparation. Dissolve the above 3, 4-dimethylpyrazole in 150 g of methanol, and add 85% phosphoric acid at room temperature to adjust the pH to 3-7.The reaction was stirred at 15-25 C for 2 hours, filtered, and dried to obtain 1120.8 g of 3, 4-dimethylpyrazole phosphate as a white solid with a total yield of 76%.1-dimethylamino-2-methyl-1-buten-3-one prepared in was added to a three-necked flask, and 52 g of an 80% hydrazine hydrate solution was slowly added dropwise.Then control the temperature at 15-35 C and slowly add hydrochloric acid to adjust the pH to 7-9.The reaction was incubated at 15-45 C for 2 hours.Slowly add 20% NaOH solution to adjust the pH to 7-10.140 g of toluene was added, and the organic layer was obtained by static layering.The solvent was distilled off under reduced pressure to give a crude 3, 4-dimethylpyrazole.Yield 79%, Can be used directly in the next step of salt formation.; The 2, 4-dimethylpyrazole obtained in was dissolved in 144 g of methanol, and 96 g of 85% phosphoric acid was added at room temperature to adjust the pH to 3-7, and the reaction was further stirred at 15-25 C for 2 hours, filtered, and dried.110 g of 3, 4-dimethylpyrazole phosphate were obtained as a white solid in a total yield of 68%.145 Kg of 3, 4-dimethylpyrazole obtained after post-treatment of reaction zone B was dissolved in 200 Kg of ethanol and 110 Kg of water.After the mixed solution is placed in the corresponding storage tank, the reaction zone C of the microchannel reactor is preheated to about 45 C, wherein the reaction CThe zone is composed of 3 microchannel reaction tablets with a liquid holding capacity of 200 mL, wherein the ethanol solution of 3, 4-methylpyrazole and 174 Kg areThe amount of phosphoric acid with a fraction of 85% is 2.50 L/min and 1.02 L/min, the residence time is about 10 s, cooling, crystallization, overFiltration, drying to obtain about 281.2Kg of white powdery solid, namely 3, 4-dimethylpyrazole phosphate, the yield is 95.9%, the purity is96.2% (HPLC).
As a new nitrification inhibitor, 3,4-Dimethylpyrazole phosphate can be used on solid and in liquid fertilizers and slurry
Computed Properties
Molecular Weight:194.13
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Exact Mass:194.04564383
Monoisotopic Mass:194.04564383
Topological Polar Surface Area:106
Heavy Atom Count:12
Complexity:113
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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